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

C8H8N4O — CID 168934812

IUPAC3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-3-2-4-9-8(7)13/h2-5H,1H3,(H,9,13)
InChIKeyOSCSKDWVKIQJEA-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.26
Rot. Bonds1

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

3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (PubChem CID 168934812) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
PubChem CID168934812
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
SMILESCc1ncn(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-3-2-4-9-8(7)13/h2-5H,1H3,(H,9,13)
InChIKeyOSCSKDWVKIQJEA-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one (CID 168934812) is 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is Cc1ncn(-c2ccc[nH]c2=O)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
The InChIKey is OSCSKDWVKIQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-10-5-12(11-6)7-3-2-4-9-8(7)13/h2-5H,1H3,(H,9,13).
What are the key properties of 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one?
3-(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 3-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 168934812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).