2-methyltriazole-4-carboxamide

C4H6N4O — CID 55284237

IUPAC2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(N)=O)n1
InChIInChI=1S/C4H6N4O/c1-8-6-2-3(7-8)4(5)9/h2H,1H3,(H2,5,9)
InChIKeySFHHYCRVXXYFJD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.09
Rot. Bonds1

About 2-methyltriazole-4-carboxamide

2-methyltriazole-4-carboxamide (PubChem CID 55284237) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-methyltriazole-4-carboxamide
PubChem CID55284237
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(N)=O)n1
InChIInChI=1S/C4H6N4O/c1-8-6-2-3(7-8)4(5)9/h2H,1H3,(H2,5,9)
InChIKeySFHHYCRVXXYFJD-UHFFFAOYSA-N
XLogP-1.09
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyltriazole-4-carboxamide?
The IUPAC name of 2-methyltriazole-4-carboxamide (CID 55284237) is 2-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-methyltriazole-4-carboxamide?
The canonical SMILES for 2-methyltriazole-4-carboxamide is Cn1ncc(C(N)=O)n1.
What is the InChIKey of 2-methyltriazole-4-carboxamide?
The InChIKey is SFHHYCRVXXYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-8-6-2-3(7-8)4(5)9/h2H,1H3,(H2,5,9).
What are the key properties of 2-methyltriazole-4-carboxamide?
2-methyltriazole-4-carboxamide has a molecular weight of 126.12 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltriazole-4-carboxamide is sourced from PubChem (CID 55284237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).