4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one

C15H11N5O — CID 167897842

IUPAC4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one
SMILESCc1nn(-c2nc3ccccn3n2)c(=O)c2ccccc12
InChIInChI=1S/C15H11N5O/c1-10-11-6-2-3-7-12(11)14(21)20(17-10)15-16-13-8-4-5-9-19(13)18-15/h2-9H,1H3
InChIKeyFHBOVSOHDHMIQC-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one

4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one (PubChem CID 167897842) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one
PubChem CID167897842
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one
SMILESCc1nn(-c2nc3ccccn3n2)c(=O)c2ccccc12
InChIInChI=1S/C15H11N5O/c1-10-11-6-2-3-7-12(11)14(21)20(17-10)15-16-13-8-4-5-9-19(13)18-15/h2-9H,1H3
InChIKeyFHBOVSOHDHMIQC-UHFFFAOYSA-N
XLogP1.74
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one?
The IUPAC name of 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one (CID 167897842) is 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one?
The canonical SMILES for 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one is Cc1nn(-c2nc3ccccn3n2)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one?
The InChIKey is FHBOVSOHDHMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-10-11-6-2-3-7-12(11)14(21)20(17-10)15-16-13-8-4-5-9-19(13)18-15/h2-9H,1H3.
What are the key properties of 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one?
4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one has a molecular weight of 277.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)phthalazin-1-one is sourced from PubChem (CID 167897842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).