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

C12H16N4S — CID 61360753

IUPAC2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCc1nnc(-c2sccc2N)n1C1CCCC1
InChIInChI=1S/C12H16N4S/c1-8-14-15-12(11-10(13)6-7-17-11)16(8)9-4-2-3-5-9/h6-7,9H,2-5,13H2,1H3
InChIKeyPXCFTVZHHCGYDU-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds2

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

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 61360753) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID61360753
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCc1nnc(-c2sccc2N)n1C1CCCC1
InChIInChI=1S/C12H16N4S/c1-8-14-15-12(11-10(13)6-7-17-11)16(8)9-4-2-3-5-9/h6-7,9H,2-5,13H2,1H3
InChIKeyPXCFTVZHHCGYDU-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 61360753) is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is Cc1nnc(-c2sccc2N)n1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is PXCFTVZHHCGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-14-15-12(11-10(13)6-7-17-11)16(8)9-4-2-3-5-9/h6-7,9H,2-5,13H2,1H3.
What are the key properties of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine?
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 248.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 61360753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).