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

C22H25FN4 — CID 124781673

IUPACN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
SMILESFc1ccccc1Cn1nc(CNC2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C22H25FN4/c23-20-14-8-7-11-18(20)16-27-25-21(15-24-19-12-5-2-6-13-19)22(26-27)17-9-3-1-4-10-17/h1,3-4,7-11,14,19,24H,2,5-6,12-13,15-16H2
InChIKeyAKAGRYMHDFGLQR-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.55
Rot. Bonds6

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

N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine (PubChem CID 124781673) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
PubChem CID124781673
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC NameN-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
SMILESFc1ccccc1Cn1nc(CNC2CCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C22H25FN4/c23-20-14-8-7-11-18(20)16-27-25-21(15-24-19-12-5-2-6-13-19)22(26-27)17-9-3-1-4-10-17/h1,3-4,7-11,14,19,24H,2,5-6,12-13,15-16H2
InChIKeyAKAGRYMHDFGLQR-UHFFFAOYSA-N
XLogP4.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine (CID 124781673) is N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine is Fc1ccccc1Cn1nc(CNC2CCCCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
The InChIKey is AKAGRYMHDFGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c23-20-14-8-7-11-18(20)16-27-25-21(15-24-19-12-5-2-6-13-19)22(26-27)17-9-3-1-4-10-17/h1,3-4,7-11,14,19,24H,2,5-6,12-13,15-16H2.
What are the key properties of N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine?
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine has a molecular weight of 364.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 124781673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).