2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine

C12H22N4 — CID 64815469

IUPAC2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine
SMILESCC(C)Cc1nc(C2CCCC2N)n(C)n1
InChIInChI=1S/C12H22N4/c1-8(2)7-11-14-12(16(3)15-11)9-5-4-6-10(9)13/h8-10H,4-7,13H2,1-3H3
InChIKeyOSIUCXKTKXJSNQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine

2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine (PubChem CID 64815469) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine
PubChem CID64815469
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine
SMILESCC(C)Cc1nc(C2CCCC2N)n(C)n1
InChIInChI=1S/C12H22N4/c1-8(2)7-11-14-12(16(3)15-11)9-5-4-6-10(9)13/h8-10H,4-7,13H2,1-3H3
InChIKeyOSIUCXKTKXJSNQ-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
4-[3-Methyl-5-(propan-2-yl)-1H-1,2,4-triazol-1-yl]piperidine
CID 71428336
(1S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,3-dimethylcyclohexan-1-amine
CID 95205618
3-Cyclopentyl-1-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 63709997
5,5,5-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 79953154
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(trifluoromethyl)butan-2-amine
CID 103312086
4-(2-Ethyl-1,2,4-triazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443489
3-Fluoro-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-2-propan-2-ylbutan-1-amine
CID 107443796
4-[1-Fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
3-Fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 112564147
3-Fluoro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 112564149
3-Fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine
CID 112564159

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine (CID 64815469) is 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine is CC(C)Cc1nc(C2CCCC2N)n(C)n1.
What is the InChIKey of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine?
The InChIKey is OSIUCXKTKXJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8(2)7-11-14-12(16(3)15-11)9-5-4-6-10(9)13/h8-10H,4-7,13H2,1-3H3.
What are the key properties of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine?
2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 64815469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).