6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

C15H13N5O2 — CID 99844192

IUPAC6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCC(=O)c1ccc(=O)n(Cc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13N5O2/c1-11(21)13-7-8-15(22)19(17-13)9-14-16-10-20(18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyQJJZQIAKRKEHPH-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.07
Rot. Bonds4

About 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (PubChem CID 99844192) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
PubChem CID99844192
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
SMILESCC(=O)c1ccc(=O)n(Cc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13N5O2/c1-11(21)13-7-8-15(22)19(17-13)9-14-16-10-20(18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyQJJZQIAKRKEHPH-UHFFFAOYSA-N
XLogP1.07
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one (CID 99844192) is 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is CC(=O)c1ccc(=O)n(Cc2ncn(-c3ccccc3)n2)n1.
What is the InChIKey of 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
The InChIKey is QJJZQIAKRKEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-11(21)13-7-8-15(22)19(17-13)9-14-16-10-20(18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one?
6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one has a molecular weight of 295.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 99844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).