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2H-1,2,4-Triazole-3-carboxamide

2H-1,2,4-Triazole-3-carboxamide structure

CAS No:
3641-08-5
Formula:
C3H4N4O
Chemical Name:
2H-1,2,4-Triazole-3-carboxamide
Synonyms:
Ribavirinbase;VITAS-BBTBB000340;4-Triazole-3-carboxaMide;1,2,4-Triazole-3-formamide;1,2,4-TRIAZOLE-3-CARBOXAMIDE;RibavirinRelatedCoMpoundD;1,2,4-TRIAZOLE-3-CARBOXYAMIDE;3-Carbamoyl-1H-1,2,4-triazole;2H-1,2,4-Triazole-5-carboxamide;2H-1,2,4-Triazole-3-carboxamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

1,2,4-triazole-3-carboxamide is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. It has a role as a human urinary metabolite and a drug metabolite. It is a member of triazoles, a primary carboxamide, a monocarboxylic acid amide and an aromatic amide.

2H-1,2,4-Triazole-3-carboxamide Basic Attributes

Molecular Weight：

112.090

Exact Mass：

112.038513

UNII：

C405ON563A

NSC Number：

80860

DSSTox ID：

DTXSID50189935

HScode：

2933990090

Characteristics

PSA：

84.66000

XLogP3：

-0.8

Density：

1.5±0.1 g/cm3

Melting Point：

315 °C

Boiling Point：

393.4±25.0 °C at 760 mmHg

Flash Point：

191.7±23.2 °C

Refractive Index：

1.626

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3263 8/PG 2

wgk germany：

hazard class code：

R34:Causes burns.

safety instructions：

S26-S27-S28-S36/37/39-S45

Marks：

C,Xi

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2,4-triazole-3-carboxamide

Computed Properties

Molecular Weight:112.09
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:112.03851076
Monoisotopic Mass:112.03851076
Topological Polar Surface Area:84.7
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2H-1,2,4-Triazole-3-carboxamide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
Latest News
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2H-1,2,4-Triazole-3-carboxamide

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