5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine

C11H15N5S — CID 18700015

IUPAC5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(CN3CCCC3)s2)n1
InChIInChI=1S/C11H15N5S/c12-11-13-10(14-15-11)9-4-3-8(17-9)7-16-5-1-2-6-16/h3-4H,1-2,5-7H2,(H3,12,13,14,15)
InChIKeyNIPMSSKGSXWJTJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.71
Rot. Bonds3

About 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine

5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 18700015) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID18700015
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(CN3CCCC3)s2)n1
InChIInChI=1S/C11H15N5S/c12-11-13-10(14-15-11)9-4-3-8(17-9)7-16-5-1-2-6-16/h3-4H,1-2,5-7H2,(H3,12,13,14,15)
InChIKeyNIPMSSKGSXWJTJ-UHFFFAOYSA-N
XLogP1.71
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine (CID 18700015) is 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(CN3CCCC3)s2)n1.
What is the InChIKey of 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is NIPMSSKGSXWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c12-11-13-10(14-15-11)9-4-3-8(17-9)7-16-5-1-2-6-16/h3-4H,1-2,5-7H2,(H3,12,13,14,15).
What are the key properties of 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine?
5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 249.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 18700015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).