2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide

C10H11N5O3 — CID 64509899

IUPAC2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H11N5O3/c1-15(4-7-11-5-12-14-7)10(18)6-2-8(16)13-9(17)3-6/h2-3,5H,4H2,1H3,(H,11,12,14)(H2,13,16,17)
InChIKeyHAGJMEHCQSTPKF-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.53
Rot. Bonds3

About 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide

2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide (PubChem CID 64509899) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
PubChem CID64509899
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C10H11N5O3/c1-15(4-7-11-5-12-14-7)10(18)6-2-8(16)13-9(17)3-6/h2-3,5H,4H2,1H3,(H,11,12,14)(H2,13,16,17)
InChIKeyHAGJMEHCQSTPKF-UHFFFAOYSA-N
XLogP-0.53
TPSA114.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide (CID 64509899) is 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The InChIKey is HAGJMEHCQSTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-15(4-7-11-5-12-14-7)10(18)6-2-8(16)13-9(17)3-6/h2-3,5H,4H2,1H3,(H,11,12,14)(H2,13,16,17).
What are the key properties of 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 64509899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).