2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide

C9H9N5O4 — CID 83101843

IUPAC2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(O)[nH]c(=O)c2)n1
InChIInChI=1S/C9H9N5O4/c1-18-9-12-8(13-14-9)11-7(17)4-2-5(15)10-6(16)3-4/h2-3H,1H3,(H2,10,15,16)(H2,11,12,13,14,17)
InChIKeyAKHGTDPNRWNYCC-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.54
Rot. Bonds3

About 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide

2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 83101843) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID83101843
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(O)[nH]c(=O)c2)n1
InChIInChI=1S/C9H9N5O4/c1-18-9-12-8(13-14-9)11-7(17)4-2-5(15)10-6(16)3-4/h2-3H,1H3,(H2,10,15,16)(H2,11,12,13,14,17)
InChIKeyAKHGTDPNRWNYCC-UHFFFAOYSA-N
XLogP-0.54
TPSA132.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide (CID 83101843) is 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide is COc1n[nH]c(NC(=O)c2cc(O)[nH]c(=O)c2)n1.
What is the InChIKey of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is AKHGTDPNRWNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-18-9-12-8(13-14-9)11-7(17)4-2-5(15)10-6(16)3-4/h2-3H,1H3,(H2,10,15,16)(H2,11,12,13,14,17).
What are the key properties of 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide?
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 251.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 83101843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).