N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine

C9H16N4 — CID 18349129

IUPACN-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
SMILESc1ncn(CCNC2CCCC2)n1
InChIInChI=1S/C9H16N4/c1-2-4-9(3-1)11-5-6-13-8-10-7-12-13/h7-9,11H,1-6H2
InChIKeyMUOPWOIUIXJLFX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds4

About N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine

N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine (PubChem CID 18349129) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
PubChem CID18349129
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
SMILESc1ncn(CCNC2CCCC2)n1
InChIInChI=1S/C9H16N4/c1-2-4-9(3-1)11-5-6-13-8-10-7-12-13/h7-9,11H,1-6H2
InChIKeyMUOPWOIUIXJLFX-UHFFFAOYSA-N
XLogP0.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine (CID 18349129) is N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine is c1ncn(CCNC2CCCC2)n1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine?
The InChIKey is MUOPWOIUIXJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-4-9(3-1)11-5-6-13-8-10-7-12-13/h7-9,11H,1-6H2.
What are the key properties of N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine?
N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine has a molecular weight of 180.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine is sourced from PubChem (CID 18349129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).