6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C15H21N5O — CID 75379459

IUPAC6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCC3C3CCCCC3)nn12
InChIInChI=1S/C15H21N5O/c21-15-17-16-13-8-9-14(18-20(13)15)19-10-4-7-12(19)11-5-2-1-3-6-11/h8-9,11-12H,1-7,10H2,(H,17,21)
InChIKeyNUHRHGZGKYTBNH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.97
Rot. Bonds2

About 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 75379459) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID75379459
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCCC3C3CCCCC3)nn12
InChIInChI=1S/C15H21N5O/c21-15-17-16-13-8-9-14(18-20(13)15)19-10-4-7-12(19)11-5-2-1-3-6-11/h8-9,11-12H,1-7,10H2,(H,17,21)
InChIKeyNUHRHGZGKYTBNH-UHFFFAOYSA-N
XLogP1.97
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]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-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 75379459) is 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCCC3C3CCCCC3)nn12.
What is the InChIKey of 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is NUHRHGZGKYTBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15-17-16-13-8-9-14(18-20(13)15)19-10-4-7-12(19)11-5-2-1-3-6-11/h8-9,11-12H,1-7,10H2,(H,17,21).
What are the key properties of 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 287.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylpyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 75379459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).