cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone

C17H24N6O — CID 134801534

IUPACcyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1nnc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)nn12
InChIInChI=1S/C17H24N6O/c1-13-18-19-15-7-8-16(20-23(13)15)21-9-4-10-22(12-11-21)17(24)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyQZLCWVIJQOGPID-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.66
Rot. Bonds2

About cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone

cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 134801534) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
PubChem CID134801534
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Namecyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1nnc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)nn12
InChIInChI=1S/C17H24N6O/c1-13-18-19-15-7-8-16(20-23(13)15)21-9-4-10-22(12-11-21)17(24)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyQZLCWVIJQOGPID-UHFFFAOYSA-N
XLogP1.66
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone 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 cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone (CID 134801534) is cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone is Cc1nnc2ccc(N3CCCN(C(=O)C4CCCC4)CC3)nn12.
What is the InChIKey of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is QZLCWVIJQOGPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-18-19-15-7-8-16(20-23(13)15)21-9-4-10-22(12-11-21)17(24)14-5-2-3-6-14/h7-8,14H,2-6,9-12H2,1H3.
What are the key properties of cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone?
cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134801534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).