2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol

C19H22N4O — CID 124811393

IUPAC2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
SMILESCc1ccc(Cn2nc(CNCCO)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H22N4O/c1-15-7-9-16(10-8-15)14-23-21-18(13-20-11-12-24)19(22-23)17-5-3-2-4-6-17/h2-10,20,24H,11-14H2,1H3
InChIKeyAZJLADXAWCGXPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.38
Rot. Bonds7

About 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol

2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol (PubChem CID 124811393) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
PubChem CID124811393
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
SMILESCc1ccc(Cn2nc(CNCCO)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H22N4O/c1-15-7-9-16(10-8-15)14-23-21-18(13-20-11-12-24)19(22-23)17-5-3-2-4-6-17/h2-10,20,24H,11-14H2,1H3
InChIKeyAZJLADXAWCGXPX-UHFFFAOYSA-N
XLogP2.38
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503
5-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124800402
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243
N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114251
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124816332
5-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124787682
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol (CID 124811393) is 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol is Cc1ccc(Cn2nc(CNCCO)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol?
The InChIKey is AZJLADXAWCGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-7-9-16(10-8-15)14-23-21-18(13-20-11-12-24)19(22-23)17-5-3-2-4-6-17/h2-10,20,24H,11-14H2,1H3.
What are the key properties of 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol?
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol has a molecular weight of 322.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 124811393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).