2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol

C14H20N4O — CID 111512497

IUPAC2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN(C)Cc2ncnn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11-4-6-12(7-5-11)13(19)8-17(2)9-14-15-10-16-18(14)3/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyDKIRUJRWXCOYAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.29
Rot. Bonds5

About 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol

2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol (PubChem CID 111512497) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
PubChem CID111512497
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN(C)Cc2ncnn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11-4-6-12(7-5-11)13(19)8-17(2)9-14-15-10-16-18(14)3/h4-7,10,13,19H,8-9H2,1-3H3
InChIKeyDKIRUJRWXCOYAL-UHFFFAOYSA-N
XLogP1.29
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 111512466
1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512470
1-(2-fluorophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512493
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111988803
1-ethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111988802
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-1-ol
CID 115773269
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111795178
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111707050
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
(2R)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutanamide
CID 95907498

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol (CID 111512497) is 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN(C)Cc2ncnn2C)cc1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
The InChIKey is DKIRUJRWXCOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-4-6-12(7-5-11)13(19)8-17(2)9-14-15-10-16-18(14)3/h4-7,10,13,19H,8-9H2,1-3H3.
What are the key properties of 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol?
2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol has a molecular weight of 260.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 111512497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).