1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

C11H20N4S — CID 62709380

IUPAC1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4S/c1-16-7-6-10(12)11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3
InChIKeyHCBDBHBSSZRXJO-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.15
Rot. Bonds5

About 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine

1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 62709380) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID62709380
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nncn1C1CCCC1
InChIInChI=1S/C11H20N4S/c1-16-7-6-10(12)11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3
InChIKeyHCBDBHBSSZRXJO-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine (CID 62709380) is 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nncn1C1CCCC1.
What is the InChIKey of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is HCBDBHBSSZRXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-16-7-6-10(12)11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine?
1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 62709380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).