[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

C13H24N4 — CID 112593700

IUPAC[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CCC1CCCC1
InChIInChI=1S/C13H24N4/c1-2-9-17-12(15-16-13(17)10-14)8-7-11-5-3-4-6-11/h11H,2-10,14H2,1H3
InChIKeyNXXGEILKOXFNBL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds6

About [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593700) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593700
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1CCC1CCCC1
InChIInChI=1S/C13H24N4/c1-2-9-17-12(15-16-13(17)10-14)8-7-11-5-3-4-6-11/h11H,2-10,14H2,1H3
InChIKeyNXXGEILKOXFNBL-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 112593700) is [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1CCC1CCCC1.
What is the InChIKey of [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is NXXGEILKOXFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-2-9-17-12(15-16-13(17)10-14)8-7-11-5-3-4-6-11/h11H,2-10,14H2,1H3.
What are the key properties of [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopentylethyl)-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).