6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine

C14H18ClN3S — CID 63271983

IUPAC6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
SMILESCCCC(Nc1nnc(Cl)c(C)c1C)c1cccs1
InChIInChI=1S/C14H18ClN3S/c1-4-6-11(12-7-5-8-19-12)16-14-10(3)9(2)13(15)17-18-14/h5,7-8,11H,4,6H2,1-3H3,(H,16,18)
InChIKeyNRYNUMKHMCBJFY-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.76
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine (PubChem CID 63271983) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
PubChem CID63271983
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine
SMILESCCCC(Nc1nnc(Cl)c(C)c1C)c1cccs1
InChIInChI=1S/C14H18ClN3S/c1-4-6-11(12-7-5-8-19-12)16-14-10(3)9(2)13(15)17-18-14/h5,7-8,11H,4,6H2,1-3H3,(H,16,18)
InChIKeyNRYNUMKHMCBJFY-UHFFFAOYSA-N
XLogP4.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine 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

3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
5-chloro-6-fluoro-1-N-(1-thiophen-2-ylbutyl)benzene-1,2,4-triamine
CID 103552855
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine (CID 63271983) is 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine is CCCC(Nc1nnc(Cl)c(C)c1C)c1cccs1.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine?
The InChIKey is NRYNUMKHMCBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-4-6-11(12-7-5-8-19-12)16-14-10(3)9(2)13(15)17-18-14/h5,7-8,11H,4,6H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine has a molecular weight of 295.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(1-thiophen-2-ylbutyl)pyridazin-3-amine is sourced from PubChem (CID 63271983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).