2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol

C15H22N4O — CID 75501649

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(CO)NCc2nnc(C)n2C)cc1
InChIInChI=1S/C15H22N4O/c1-4-12-5-7-13(8-6-12)14(10-20)16-9-15-18-17-11(2)19(15)3/h5-8,14,16,20H,4,9-10H2,1-3H3
InChIKeyQFWRBENLKYECGW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.51
Rot. Bonds6

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol (PubChem CID 75501649) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
PubChem CID75501649
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(CO)NCc2nnc(C)n2C)cc1
InChIInChI=1S/C15H22N4O/c1-4-12-5-7-13(8-6-12)14(10-20)16-9-15-18-17-11(2)19(15)3/h5-8,14,16,20H,4,9-10H2,1-3H3
InChIKeyQFWRBENLKYECGW-UHFFFAOYSA-N
XLogP1.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylimidazol-2-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 109380397
2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 109380344
(1R)-1-(4-chlorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81352643
(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine
CID 124610865
(1S)-2-(2-chlorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 124574611
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propane-1,2-diol
CID 66168670
2-(4-ethylphenyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 109380363
2-(4-ethylphenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol
CID 109380448
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylaniline
CID 43524706
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 43524835

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol (CID 75501649) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol is CCc1ccc(C(CO)NCc2nnc(C)n2C)cc1.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol?
The InChIKey is QFWRBENLKYECGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-12-5-7-13(8-6-12)14(10-20)16-9-15-18-17-11(2)19(15)3/h5-8,14,16,20H,4,9-10H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 75501649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).