1-methyl-1,2,4-triazole-3-carboxamide

C4H6N4O — CID 20651989

IUPAC1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(N)=O)n1
InChIInChI=1S/C4H6N4O/c1-8-2-6-4(7-8)3(5)9/h2H,1H3,(H2,5,9)
InChIKeyYDBCQGNEXYFIHD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.09
Rot. Bonds1

About 1-methyl-1,2,4-triazole-3-carboxamide

1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 20651989) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID20651989
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1-methyl-1,2,4-triazole-3-carboxamide
SMILESCn1cnc(C(N)=O)n1
InChIInChI=1S/C4H6N4O/c1-8-2-6-4(7-8)3(5)9/h2H,1H3,(H2,5,9)
InChIKeyYDBCQGNEXYFIHD-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 1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-1,2,4-triazole-3-carboxamide (CID 20651989) is 1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-1,2,4-triazole-3-carboxamide is Cn1cnc(C(N)=O)n1.
What is the InChIKey of 1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is YDBCQGNEXYFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-8-2-6-4(7-8)3(5)9/h2H,1H3,(H2,5,9).
What are the key properties of 1-methyl-1,2,4-triazole-3-carboxamide?
1-methyl-1,2,4-triazole-3-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 1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 20651989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).