2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol

C12H16N4O — CID 66270531

IUPAC2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
SMILESCc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C12H16N4O/c1-10-3-2-4-11(7-10)13-8-12-9-16(5-6-17)15-14-12/h2-4,7,9,13,17H,5-6,8H2,1H3
InChIKeyZSCBDSGPFMLELV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol

2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66270531) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
PubChem CID66270531
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
SMILESCc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C12H16N4O/c1-10-3-2-4-11(7-10)13-8-12-9-16(5-6-17)15-14-12/h2-4,7,9,13,17H,5-6,8H2,1H3
InChIKeyZSCBDSGPFMLELV-UHFFFAOYSA-N
XLogP1.19
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
3-[4-[(3-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 79055183
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol (CID 66270531) is 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol is Cc1cccc(NCc2cn(CCO)nn2)c1.
What is the InChIKey of 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is ZSCBDSGPFMLELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10-3-2-4-11(7-10)13-8-12-9-16(5-6-17)15-14-12/h2-4,7,9,13,17H,5-6,8H2,1H3.
What are the key properties of 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 232.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).