2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline

C15H20N4 — CID 55086241

IUPAC2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCc1nnc(Cc2ccccc2N)n1C1CCCC1
InChIInChI=1S/C15H20N4/c1-11-17-18-15(19(11)13-7-3-4-8-13)10-12-6-2-5-9-14(12)16/h2,5-6,9,13H,3-4,7-8,10,16H2,1H3
InChIKeyIQPHRFXAZFAFFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds3

About 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline

2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 55086241) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID55086241
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCc1nnc(Cc2ccccc2N)n1C1CCCC1
InChIInChI=1S/C15H20N4/c1-11-17-18-15(19(11)13-7-3-4-8-13)10-12-6-2-5-9-14(12)16/h2,5-6,9,13H,3-4,7-8,10,16H2,1H3
InChIKeyIQPHRFXAZFAFFU-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline (CID 55086241) is 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline is Cc1nnc(Cc2ccccc2N)n1C1CCCC1.
What is the InChIKey of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is IQPHRFXAZFAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-17-18-15(19(11)13-7-3-4-8-13)10-12-6-2-5-9-14(12)16/h2,5-6,9,13H,3-4,7-8,10,16H2,1H3.
What are the key properties of 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline?
2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 55086241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).