2-(5-cyclopentyltriazol-1-yl)ethanamine

C9H16N4 — CID 115015736

IUPAC2-(5-cyclopentyltriazol-1-yl)ethanamine
SMILESNCCn1nncc1C1CCCC1
InChIInChI=1S/C9H16N4/c10-5-6-13-9(7-11-12-13)8-3-1-2-4-8/h7-8H,1-6,10H2
InChIKeyLGCHFBISEDFUMI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds3

About 2-(5-cyclopentyltriazol-1-yl)ethanamine

2-(5-cyclopentyltriazol-1-yl)ethanamine (PubChem CID 115015736) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(5-cyclopentyltriazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cyclopentyltriazol-1-yl)ethanamine
PubChem CID115015736
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(5-cyclopentyltriazol-1-yl)ethanamine
SMILESNCCn1nncc1C1CCCC1
InChIInChI=1S/C9H16N4/c10-5-6-13-9(7-11-12-13)8-3-1-2-4-8/h7-8H,1-6,10H2
InChIKeyLGCHFBISEDFUMI-UHFFFAOYSA-N
XLogP0.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyltriazol-1-yl)ethanamine?
The IUPAC name of 2-(5-cyclopentyltriazol-1-yl)ethanamine (CID 115015736) is 2-(5-cyclopentyltriazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-cyclopentyltriazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-cyclopentyltriazol-1-yl)ethanamine is NCCn1nncc1C1CCCC1.
What is the InChIKey of 2-(5-cyclopentyltriazol-1-yl)ethanamine?
The InChIKey is LGCHFBISEDFUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-5-6-13-9(7-11-12-13)8-3-1-2-4-8/h7-8H,1-6,10H2.
What are the key properties of 2-(5-cyclopentyltriazol-1-yl)ethanamine?
2-(5-cyclopentyltriazol-1-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyltriazol-1-yl)ethanamine is sourced from PubChem (CID 115015736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).