2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine

C15H24N4S — CID 79576666

IUPAC2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H24N4S/c16-13-3-1-2-10(13)8-9-20-15-18-17-14(11-4-5-11)19(15)12-6-7-12/h10-13H,1-9,16H2
InChIKeyQGHZCCATBFOZOL-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine

2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine (PubChem CID 79576666) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine
PubChem CID79576666
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine
SMILESNC1CCCC1CCSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H24N4S/c16-13-3-1-2-10(13)8-9-20-15-18-17-14(11-4-5-11)19(15)12-6-7-12/h10-13H,1-9,16H2
InChIKeyQGHZCCATBFOZOL-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62355846
N-carbamoyl-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 47135790
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 64619892
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3,3-dimethylbutan-1-amine
CID 62577706
[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]methanamine
CID 43530324
6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-one
CID 43794022
1-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pyrazol-3-amine
CID 63311425
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-amine
CID 64620089
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 62806546
3-[2-(2-chlorophenyl)ethylsulfanyl]-4,5-dicyclopropyl-1,2,4-triazole
CID 60603455
methyl 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)butanoate
CID 63035363
potassium 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]prop-1-en-2-yl-trifluoroboranuide
CID 106746917

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine (CID 79576666) is 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine is NC1CCCC1CCSc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine?
The InChIKey is QGHZCCATBFOZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c16-13-3-1-2-10(13)8-9-20-15-18-17-14(11-4-5-11)19(15)12-6-7-12/h10-13H,1-9,16H2.
What are the key properties of 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine?
2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79576666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).