N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine

C11H16N4S — CID 62091749

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nncn1C)c1ccsc1
InChIInChI=1S/C11H16N4S/c1-8(10-4-5-16-6-10)13-9(2)11-14-12-7-15(11)3/h4-9,13H,1-3H3
InChIKeyDDUIHKREWQQAOS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 62091749) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID62091749
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1nncn1C)c1ccsc1
InChIInChI=1S/C11H16N4S/c1-8(10-4-5-16-6-10)13-9(2)11-14-12-7-15(11)3/h4-9,13H,1-3H3
InChIKeyDDUIHKREWQQAOS-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine 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 N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine (CID 62091749) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1nncn1C)c1ccsc1.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is DDUIHKREWQQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(10-4-5-16-6-10)13-9(2)11-14-12-7-15(11)3/h4-9,13H,1-3H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62091749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).