N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine

C21H23ClN4 — CID 124895872

IUPACN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
SMILESClc1ccccc1Cn1nc(CNC2CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H23ClN4/c22-19-13-7-4-10-17(19)15-26-24-20(14-23-18-11-5-6-12-18)21(25-26)16-8-2-1-3-9-16/h1-4,7-10,13,18,23H,5-6,11-12,14-15H2
InChIKeyURLGSZZJMCAEOW-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.68
Rot. Bonds6

About N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine

N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine (PubChem CID 124895872) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
PubChem CID124895872
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
SMILESClc1ccccc1Cn1nc(CNC2CCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C21H23ClN4/c22-19-13-7-4-10-17(19)15-26-24-20(14-23-18-11-5-6-12-18)21(25-26)16-8-2-1-3-9-16/h1-4,7-10,13,18,23H,5-6,11-12,14-15H2
InChIKeyURLGSZZJMCAEOW-UHFFFAOYSA-N
XLogP4.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
CID 124818663
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124816332
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124805517
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
CID 124805599
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124823879
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
(3S,5R)-N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911532
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826066
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124825962

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine (CID 124895872) is N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine is Clc1ccccc1Cn1nc(CNC2CCCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine?
The InChIKey is URLGSZZJMCAEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-19-13-7-4-10-17(19)15-26-24-20(14-23-18-11-5-6-12-18)21(25-26)16-8-2-1-3-9-16/h1-4,7-10,13,18,23H,5-6,11-12,14-15H2.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine?
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine has a molecular weight of 366.90 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 124895872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).