2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C12H22N4 — CID 64815467

IUPAC2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1nc(C(C)(C)C)nc1C1CCCC1N
InChIInChI=1S/C12H22N4/c1-12(2,3)11-14-10(16(4)15-11)8-6-5-7-9(8)13/h8-9H,5-7,13H2,1-4H3
InChIKeyRETUHZUFRAFHFY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.71
Rot. Bonds1

About 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 64815467) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID64815467
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1nc(C(C)(C)C)nc1C1CCCC1N
InChIInChI=1S/C12H22N4/c1-12(2,3)11-14-10(16(4)15-11)8-6-5-7-9(8)13/h8-9H,5-7,13H2,1-4H3
InChIKeyRETUHZUFRAFHFY-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 64815467) is 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cn1nc(C(C)(C)C)nc1C1CCCC1N.
What is the InChIKey of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is RETUHZUFRAFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2,3)11-14-10(16(4)15-11)8-6-5-7-9(8)13/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 64815467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).