2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one

C13H15N5O — CID 162640072

IUPAC2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCN=N1
InChIInChI=1S/C13H15N5O/c19-13-7-6-12(11-4-2-1-3-5-11)15-18(13)10-17-9-8-14-16-17/h1-5H,6-10H2
InChIKeyWDNISRWICFFKRG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.65
Rot. Bonds3

About 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one

2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 162640072) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID162640072
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCN=N1
InChIInChI=1S/C13H15N5O/c19-13-7-6-12(11-4-2-1-3-5-11)15-18(13)10-17-9-8-14-16-17/h1-5H,6-10H2
InChIKeyWDNISRWICFFKRG-UHFFFAOYSA-N
XLogP1.65
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one (CID 162640072) is 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1CN1CCN=N1.
What is the InChIKey of 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is WDNISRWICFFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13-7-6-12(11-4-2-1-3-5-11)15-18(13)10-17-9-8-14-16-17/h1-5H,6-10H2.
What are the key properties of 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one?
2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 257.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydrotriazol-1-ylmethyl)-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 162640072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).