N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine

C23H28N4 — CID 124816332

IUPACN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
SMILESCc1ccc(Cn2nc(CNC3CCCCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4/c1-18-12-14-19(15-13-18)17-27-25-22(16-24-21-10-6-3-7-11-21)23(26-27)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-17H2,1H3
InChIKeyRVWKHMJDAOTNML-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.72
Rot. Bonds6

About N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine

N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine (PubChem CID 124816332) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
PubChem CID124816332
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC NameN-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
SMILESCc1ccc(Cn2nc(CNC3CCCCC3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4/c1-18-12-14-19(15-13-18)17-27-25-22(16-24-21-10-6-3-7-11-21)23(26-27)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-17H2,1H3
InChIKeyRVWKHMJDAOTNML-UHFFFAOYSA-N
XLogP4.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.72
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-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
CID 124805599
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
(1R)-1-(1-adamantyl)-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817456
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine (CID 124816332) is N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine is Cc1ccc(Cn2nc(CNC3CCCCC3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The InChIKey is RVWKHMJDAOTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-18-12-14-19(15-13-18)17-27-25-22(16-24-21-10-6-3-7-11-21)23(26-27)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-17H2,1H3.
What are the key properties of N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine has a molecular weight of 360.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 124816332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).