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

C13H22N4 — CID 82764950

IUPAC2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nncn2C2CCCC2)CCCC1N
InChIInChI=1S/C13H22N4/c1-13(8-4-7-11(13)14)12-16-15-9-17(12)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3
InChIKeyVVAUHKRXIMNPIR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.16
Rot. Bonds2

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

2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine (PubChem CID 82764950) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine
PubChem CID82764950
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine
SMILESCC1(c2nncn2C2CCCC2)CCCC1N
InChIInChI=1S/C13H22N4/c1-13(8-4-7-11(13)14)12-16-15-9-17(12)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3
InChIKeyVVAUHKRXIMNPIR-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclopentyl-3-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63709267
3-(1-Fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole
CID 130787770
N-tert-butyl-3,3-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 172108227
4-(4-Cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55107685
N-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylpropan-2-amine
CID 55107731
[1-[(4-Cyclopentyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 55107923
3-(4-Cyclopentyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55147301
3-Propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 55164148
3-(4-Cyclohexyl-1,2,4-triazol-3-yl)-3-methylpiperidine
CID 55164342
4-Cyclopentyl-3-methyl-5-(3-methylpyrrolidin-3-yl)-1,2,4-triazole
CID 55165954
4-Cyclopentyl-3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-triazole
CID 55166146
4-Cyclohexyl-3-(3-propylpyrrolidin-3-yl)-1,2,4-triazole
CID 55166722

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine (CID 82764950) is 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine is CC1(c2nncn2C2CCCC2)CCCC1N.
What is the InChIKey of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine?
The InChIKey is VVAUHKRXIMNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(8-4-7-11(13)14)12-16-15-9-17(12)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3.
What are the key properties of 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine?
2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82764950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).