5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one

C8H8N4O — CID 136742882

IUPAC5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
SMILESCn1cnnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C8H8N4O/c1-12-5-10-11-8(12)6-2-3-7(13)9-4-6/h2-5H,1H3,(H,9,13)
InChIKeyPEXXMIHNQFXABL-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.17
Rot. Bonds1

About 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one

5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one (PubChem CID 136742882) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
PubChem CID136742882
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one
SMILESCn1cnnc1-c1ccc(=O)[nH]c1
InChIInChI=1S/C8H8N4O/c1-12-5-10-11-8(12)6-2-3-7(13)9-4-6/h2-5H,1H3,(H,9,13)
InChIKeyPEXXMIHNQFXABL-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one (CID 136742882) is 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one is Cn1cnnc1-c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
The InChIKey is PEXXMIHNQFXABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-5-10-11-8(12)6-2-3-7(13)9-4-6/h2-5H,1H3,(H,9,13).
What are the key properties of 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one?
5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,2,4-triazol-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 136742882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).