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

C9H9N5O2 — CID 103800959

IUPACN-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCn1ncnc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9N5O2/c1-14-9(11-5-12-14)13-8(16)6-2-3-10-7(15)4-6/h2-5H,1H3,(H,10,15)(H,11,12,13,16)
InChIKeyDWSUREKGGBAMOB-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.24
Rot. Bonds2

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

N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103800959) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103800959
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCn1ncnc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H9N5O2/c1-14-9(11-5-12-14)13-8(16)6-2-3-10-7(15)4-6/h2-5H,1H3,(H,10,15)(H,11,12,13,16)
InChIKeyDWSUREKGGBAMOB-UHFFFAOYSA-N
XLogP-0.24
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103800959) is N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide is Cn1ncnc1NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is DWSUREKGGBAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-14-9(11-5-12-14)13-8(16)6-2-3-10-7(15)4-6/h2-5H,1H3,(H,10,15)(H,11,12,13,16).
What are the key properties of N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 219.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103800959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).