(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine

C17H17N3S — CID 61096036

IUPAC(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
SMILESCc1nnc(Sc2ccc3ccccc3c2)c(CN)c1C
InChIInChI=1S/C17H17N3S/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3
InChIKeyXRTHRUZZZOLWEB-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.86
Rot. Bonds3

About (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine

(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine (PubChem CID 61096036) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
PubChem CID61096036
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
SMILESCc1nnc(Sc2ccc3ccccc3c2)c(CN)c1C
InChIInChI=1S/C17H17N3S/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3
InChIKeyXRTHRUZZZOLWEB-UHFFFAOYSA-N
XLogP3.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-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

Related Compounds

(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 61095837
5-methyl-6-naphthalen-2-ylsulfanylpyridine-3-carbaldehyde
CID 80640768
[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine
CID 62141117
6-naphthalen-2-ylsulfanylpyridazin-3-amine
CID 15265164
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 63857401
5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine
CID 55224154
(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
CID 63404639
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine?
The IUPAC name of (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine (CID 61096036) is (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine.
What is the SMILES notation for (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine?
The canonical SMILES for (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine is Cc1nnc(Sc2ccc3ccccc3c2)c(CN)c1C.
What is the InChIKey of (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine?
The InChIKey is XRTHRUZZZOLWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11-12(2)19-20-17(16(11)10-18)21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,18H2,1-2H3.
What are the key properties of (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine?
(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine has a molecular weight of 295.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61096036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).