[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine

C14H18N4 — CID 61336592

IUPAC[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2n[nH]c(C3CCCC3)n2)c1
InChIInChI=1S/C14H18N4/c15-9-10-4-3-7-12(8-10)14-16-13(17-18-14)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2,(H,16,17,18)
InChIKeyVEBLAFCKEYHSEO-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.59
Rot. Bonds3

About [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine

[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine (PubChem CID 61336592) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
PubChem CID61336592
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESNCc1cccc(-c2n[nH]c(C3CCCC3)n2)c1
InChIInChI=1S/C14H18N4/c15-9-10-4-3-7-12(8-10)14-16-13(17-18-14)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2,(H,16,17,18)
InChIKeyVEBLAFCKEYHSEO-UHFFFAOYSA-N
XLogP2.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The IUPAC name of [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine (CID 61336592) is [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine is NCc1cccc(-c2n[nH]c(C3CCCC3)n2)c1.
What is the InChIKey of [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
The InChIKey is VEBLAFCKEYHSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-9-10-4-3-7-12(8-10)14-16-13(17-18-14)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9,15H2,(H,16,17,18).
What are the key properties of [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine?
[3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine has a molecular weight of 242.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 61336592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).