4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

C8H8N4O — CID 168934704

IUPAC4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-2-3-9-8(13)4-7/h2-5H,1H3,(H,9,13)
InChIKeyIBWHFGFJXDRXSQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.26
Rot. Bonds1

About 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one

4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 168934704) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID168934704
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-2-3-9-8(13)4-7/h2-5H,1H3,(H,9,13)
InChIKeyIBWHFGFJXDRXSQ-UHFFFAOYSA-N
XLogP0.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 176639883
1-Vinyl-1,2,4-triazole-acrylamide
CID 129865151
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 136569675
N-[5-(3-methyl-1,2,4-triazol-1-yl)-6-oxo-1H-pyridin-2-yl]acetamide
CID 70217179
5-(1H-1,2,4-triazole-1-yl)pyridin-2-ol
CID 86711193
5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one
CID 90251202
(E)-N-methyl-4-(3-methyl-1,2,4-triazol-4-yl)but-2-enamide
CID 118400721
3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934654
5-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934758
3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934812
5-chloro-3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934886
1-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-carboxylic acid
CID 168934979

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 168934704) is 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is Cc1ncn(-c2cc[nH]c(=O)c2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is IBWHFGFJXDRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-2-3-9-8(13)4-7/h2-5H,1H3,(H,9,13).
What are the key properties of 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 168934704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).