(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine

C13H21N3S — CID 61096231

IUPAC(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCc1nnc(SC2CCCCC2)c(CN)c1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)15-16-13(12(9)8-14)17-11-6-4-3-5-7-11/h11H,3-8,14H2,1-2H3
InChIKeyOQGYINJYEQSHKO-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.98
Rot. Bonds3

About (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine

(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine (PubChem CID 61096231) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
PubChem CID61096231
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCc1nnc(SC2CCCCC2)c(CN)c1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)15-16-13(12(9)8-14)17-11-6-4-3-5-7-11/h11H,3-8,14H2,1-2H3
InChIKeyOQGYINJYEQSHKO-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine 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 (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The IUPAC name of (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine (CID 61096231) is (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine is Cc1nnc(SC2CCCCC2)c(CN)c1C.
What is the InChIKey of (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
The InChIKey is OQGYINJYEQSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-10(2)15-16-13(12(9)8-14)17-11-6-4-3-5-7-11/h11H,3-8,14H2,1-2H3.
What are the key properties of (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine?
(3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine has a molecular weight of 251.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61096231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).