3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine

C13H24N4 — CID 79642409

IUPAC3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(n2nc(CC)nc2CC)C1
InChIInChI=1S/C13H24N4/c1-4-12-15-13(5-2)17(16-12)11-8-7-10(9-11)14-6-3/h10-11,14H,4-9H2,1-3H3
InChIKeyKQWZYZGDIUQCIZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds5

About 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine

3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine (PubChem CID 79642409) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine
PubChem CID79642409
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(n2nc(CC)nc2CC)C1
InChIInChI=1S/C13H24N4/c1-4-12-15-13(5-2)17(16-12)11-8-7-10(9-11)14-6-3/h10-11,14H,4-9H2,1-3H3
InChIKeyKQWZYZGDIUQCIZ-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine (CID 79642409) is 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine is CCNC1CCC(n2nc(CC)nc2CC)C1.
What is the InChIKey of 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine?
The InChIKey is KQWZYZGDIUQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-12-15-13(5-2)17(16-12)11-8-7-10(9-11)14-6-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine?
3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79642409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).