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

C8H14N4 — CID 64815849

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nc(C2CCCC2N)n[nH]1
InChIInChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-3-2-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyUVQVWEPHOJCQFM-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.71
Rot. Bonds1

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

2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 64815849) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID64815849
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCc1nc(C2CCCC2N)n[nH]1
InChIInChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-3-2-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,11,12)
InChIKeyUVQVWEPHOJCQFM-UHFFFAOYSA-N
XLogP0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 64815849) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cc1nc(C2CCCC2N)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is UVQVWEPHOJCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-10-8(12-11-5)6-3-2-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,11,12).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine?
2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 64815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).