3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine

C11H15ClN4S — CID 141412789

IUPAC3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cnc(-c2cscc2Cl)n1
InChIInChI=1S/C11H15ClN4S/c1-15(2)4-3-5-16-8-13-11(14-16)9-6-17-7-10(9)12/h6-8H,3-5H2,1-2H3
InChIKeyISHQYJFTJRWLAE-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.61
Rot. Bonds5

About 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine

3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 141412789) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID141412789
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1cnc(-c2cscc2Cl)n1
InChIInChI=1S/C11H15ClN4S/c1-15(2)4-3-5-16-8-13-11(14-16)9-6-17-7-10(9)12/h6-8H,3-5H2,1-2H3
InChIKeyISHQYJFTJRWLAE-UHFFFAOYSA-N
XLogP2.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine 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-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine (CID 141412789) is 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1cnc(-c2cscc2Cl)n1.
What is the InChIKey of 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is ISHQYJFTJRWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-15(2)4-3-5-16-8-13-11(14-16)9-6-17-7-10(9)12/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 270.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorothiophen-3-yl)-1,2,4-triazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141412789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).