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

C8H14N4 — CID 64815854

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1cnnc1C1CCCC1N
InChIInChI=1S/C8H14N4/c1-12-5-10-11-8(12)6-3-2-4-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeyHTZYLVODXWNXIN-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.41
Rot. Bonds1

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

2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 64815854) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID64815854
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCn1cnnc1C1CCCC1N
InChIInChI=1S/C8H14N4/c1-12-5-10-11-8(12)6-3-2-4-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeyHTZYLVODXWNXIN-UHFFFAOYSA-N
XLogP0.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 64815854) is 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is Cn1cnnc1C1CCCC1N.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is HTZYLVODXWNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-5-10-11-8(12)6-3-2-4-7(6)9/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 64815854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).