1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C10H11N5O2 — CID 54885291

IUPAC1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ncn[nH]2)cc1=O
InChIInChI=1S/C10H11N5O2/c1-15-3-2-7(4-9(15)16)10(17)11-5-8-12-6-13-14-8/h2-4,6H,5H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyWAVZDMOJCQZXRA-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.57
Rot. Bonds3

About 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 54885291) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID54885291
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ncn[nH]2)cc1=O
InChIInChI=1S/C10H11N5O2/c1-15-3-2-7(4-9(15)16)10(17)11-5-8-12-6-13-14-8/h2-4,6H,5H2,1H3,(H,11,17)(H,12,13,14)
InChIKeyWAVZDMOJCQZXRA-UHFFFAOYSA-N
XLogP-0.57
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 54885291) is 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2ncn[nH]2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WAVZDMOJCQZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-3-2-7(4-9(15)16)10(17)11-5-8-12-6-13-14-8/h2-4,6H,5H2,1H3,(H,11,17)(H,12,13,14).
What are the key properties of 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 54885291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).