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

C9H9N5O3 — CID 83101038

IUPAC3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccncc2O)n1
InChIInChI=1S/C9H9N5O3/c1-17-9-12-8(13-14-9)11-7(16)5-2-3-10-4-6(5)15/h2-4,15H,1H3,(H2,11,12,13,14,16)
InChIKeyRRSPGVBULXPJBJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.17
Rot. Bonds3

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

3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide (PubChem CID 83101038) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
PubChem CID83101038
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccncc2O)n1
InChIInChI=1S/C9H9N5O3/c1-17-9-12-8(13-14-9)11-7(16)5-2-3-10-4-6(5)15/h2-4,15H,1H3,(H2,11,12,13,14,16)
InChIKeyRRSPGVBULXPJBJ-UHFFFAOYSA-N
XLogP0.17
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide (CID 83101038) is 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide is COc1n[nH]c(NC(=O)c2ccncc2O)n1.
What is the InChIKey of 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
The InChIKey is RRSPGVBULXPJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-17-9-12-8(13-14-9)11-7(16)5-2-3-10-4-6(5)15/h2-4,15H,1H3,(H2,11,12,13,14,16).
What are the key properties of 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide?
3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 83101038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).