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

C9H10N4O — CID 116622366

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCn1cnnc1Cn1ccc(=O)cc1
InChIInChI=1S/C9H10N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h2-5,7H,6H2,1H3
InChIKeyPBSZZIHMIDJZGN-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.03
Rot. Bonds2

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

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (PubChem CID 116622366) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
PubChem CID116622366
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCn1cnnc1Cn1ccc(=O)cc1
InChIInChI=1S/C9H10N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h2-5,7H,6H2,1H3
InChIKeyPBSZZIHMIDJZGN-UHFFFAOYSA-N
XLogP0.03
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (CID 116622366) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is Cn1cnnc1Cn1ccc(=O)cc1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The InChIKey is PBSZZIHMIDJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-12-7-10-11-9(12)6-13-4-2-8(14)3-5-13/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 116622366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).