N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide

C10H11N5O2 — CID 64510339

IUPACN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H11N5O2/c1-15(5-8-12-6-13-14-8)10(17)7-3-2-4-11-9(7)16/h2-4,6H,5H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyJKFANXOAHAPCBZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.23
Rot. Bonds3

About N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide

N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 64510339) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID64510339
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C10H11N5O2/c1-15(5-8-12-6-13-14-8)10(17)7-3-2-4-11-9(7)16/h2-4,6H,5H2,1H3,(H,11,16)(H,12,13,14)
InChIKeyJKFANXOAHAPCBZ-UHFFFAOYSA-N
XLogP-0.23
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide (CID 64510339) is N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JKFANXOAHAPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15(5-8-12-6-13-14-8)10(17)7-3-2-4-11-9(7)16/h2-4,6H,5H2,1H3,(H,11,16)(H,12,13,14).
What are the key properties of N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide?
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64510339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).