5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine

C9H10N4S — CID 58035633

IUPAC5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESNc1csc(-c2nncn2C2CC2)c1
InChIInChI=1S/C9H10N4S/c10-6-3-8(14-4-6)9-12-11-5-13(9)7-1-2-7/h3-5,7H,1-2,10H2
InChIKeyBTHIOZKTXMWVTQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.92
Rot. Bonds2

About 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine

5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 58035633) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID58035633
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESNc1csc(-c2nncn2C2CC2)c1
InChIInChI=1S/C9H10N4S/c10-6-3-8(14-4-6)9-12-11-5-13(9)7-1-2-7/h3-5,7H,1-2,10H2
InChIKeyBTHIOZKTXMWVTQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 58035633) is 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine is Nc1csc(-c2nncn2C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is BTHIOZKTXMWVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-6-3-8(14-4-6)9-12-11-5-13(9)7-1-2-7/h3-5,7H,1-2,10H2.
What are the key properties of 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine?
5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 206.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 58035633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).