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

C14H18N4 — CID 62709549

IUPACN-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESc1ccc(NCc2nncn2C2CCCC2)cc1
InChIInChI=1S/C14H18N4/c1-2-6-12(7-3-1)15-10-14-17-16-11-18(14)13-8-4-5-9-13/h1-3,6-7,11,13,15H,4-5,8-10H2
InChIKeyIAGDJOFHOXXOMT-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.01
Rot. Bonds4

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

N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 62709549) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID62709549
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESc1ccc(NCc2nncn2C2CCCC2)cc1
InChIInChI=1S/C14H18N4/c1-2-6-12(7-3-1)15-10-14-17-16-11-18(14)13-8-4-5-9-13/h1-3,6-7,11,13,15H,4-5,8-10H2
InChIKeyIAGDJOFHOXXOMT-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline (CID 62709549) is N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline is c1ccc(NCc2nncn2C2CCCC2)cc1.
What is the InChIKey of N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is IAGDJOFHOXXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-6-12(7-3-1)15-10-14-17-16-11-18(14)13-8-4-5-9-13/h1-3,6-7,11,13,15H,4-5,8-10H2.
What are the key properties of N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline?
N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 242.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 62709549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).