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

C9H9N5O3 — CID 54884799

IUPAC2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H9N5O3/c15-7-1-5(2-8(16)13-7)9(17)10-3-6-11-4-12-14-6/h1-2,4H,3H2,(H,10,17)(H,11,12,14)(H2,13,15,16)
InChIKeyJCYNYMQMHUOHGD-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.87
Rot. Bonds3

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

2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide (PubChem CID 54884799) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
PubChem CID54884799
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C9H9N5O3/c15-7-1-5(2-8(16)13-7)9(17)10-3-6-11-4-12-14-6/h1-2,4H,3H2,(H,10,17)(H,11,12,14)(H2,13,15,16)
InChIKeyJCYNYMQMHUOHGD-UHFFFAOYSA-N
XLogP-0.87
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide (CID 54884799) is 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide is O=C(NCc1ncn[nH]1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
The InChIKey is JCYNYMQMHUOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c15-7-1-5(2-8(16)13-7)9(17)10-3-6-11-4-12-14-6/h1-2,4H,3H2,(H,10,17)(H,11,12,14)(H2,13,15,16).
What are the key properties of 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide?
2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 54884799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).