6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one

C13H12ClN5O — CID 46703751

IUPAC6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(Cl)cc2)=NN1Cn1cncn1
InChIInChI=1S/C13H12ClN5O/c14-11-3-1-10(2-4-11)12-5-6-13(20)19(17-12)9-18-8-15-7-16-18/h1-4,7-8H,5-6,9H2
InChIKeyXQWSJWGJRSSHFG-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.92
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703751) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703751
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(Cl)cc2)=NN1Cn1cncn1
InChIInChI=1S/C13H12ClN5O/c14-11-3-1-10(2-4-11)12-5-6-13(20)19(17-12)9-18-8-15-7-16-18/h1-4,7-8H,5-6,9H2
InChIKeyXQWSJWGJRSSHFG-UHFFFAOYSA-N
XLogP1.92
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-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

Related Compounds

6-Phenyl-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702673
6-(4-Methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702857
6-(4-Ethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703180
6-[4-(2-Methylpropyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703319
6-(4-Phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703604
6-tert-butyl-8-[(Z)-(4-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 5846295
(E)-6-(tert-butyl)-8-((4-chlorobenzylidene)amino)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
CID 9623608
1-(3-Amino-1,2,4-triazol-4-yl)-2-(4-chlorophenyl)ethanone
CID 3461061
6-benzyl-5-chloro-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 129012075
2-[(4-Chlorophenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
CID 184776
1-(3-Amino-1,2,4-triazol-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 110488800
6-tert-butyl-8-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 5526866

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703751) is 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccc(Cl)cc2)=NN1Cn1cncn1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is XQWSJWGJRSSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-11-3-1-10(2-4-11)12-5-6-13(20)19(17-12)9-18-8-15-7-16-18/h1-4,7-8H,5-6,9H2.
What are the key properties of 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 289.73 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).