2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one

C18H18N8O — CID 72907781

IUPAC2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one
SMILESCn1nc(-c2nc(Cn3cncn3)nn2CCc2ccccc2)ccc1=O
InChIInChI=1S/C18H18N8O/c1-24-17(27)8-7-15(22-24)18-21-16(11-25-13-19-12-20-25)23-26(18)10-9-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3
InChIKeyQKFHNWYNSOORCA-UHFFFAOYSA-N
MW362.40 g/mol
LogP0.92
Rot. Bonds6

About 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one

2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one (PubChem CID 72907781) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one
PubChem CID72907781
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one
SMILESCn1nc(-c2nc(Cn3cncn3)nn2CCc2ccccc2)ccc1=O
InChIInChI=1S/C18H18N8O/c1-24-17(27)8-7-15(22-24)18-21-16(11-25-13-19-12-20-25)23-26(18)10-9-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3
InChIKeyQKFHNWYNSOORCA-UHFFFAOYSA-N
XLogP0.92
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]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 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one (CID 72907781) is 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one is Cn1nc(-c2nc(Cn3cncn3)nn2CCc2ccccc2)ccc1=O.
What is the InChIKey of 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one?
The InChIKey is QKFHNWYNSOORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-24-17(27)8-7-15(22-24)18-21-16(11-25-13-19-12-20-25)23-26(18)10-9-14-5-3-2-4-6-14/h2-8,12-13H,9-11H2,1H3.
What are the key properties of 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one?
2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one has a molecular weight of 362.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-phenylethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridazin-3-one is sourced from PubChem (CID 72907781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).