[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol

C11H14N4O — CID 91087646

IUPAC[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1ccc(N)cc1Cn1cc(CO)nn1
InChIInChI=1S/C11H14N4O/c1-8-2-3-10(12)4-9(8)5-15-6-11(7-16)13-14-15/h2-4,6,16H,5,7,12H2,1H3
InChIKeyDKEUTGBWDILRRM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.71
Rot. Bonds3

About [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol

[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol (PubChem CID 91087646) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
PubChem CID91087646
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1ccc(N)cc1Cn1cc(CO)nn1
InChIInChI=1S/C11H14N4O/c1-8-2-3-10(12)4-9(8)5-15-6-11(7-16)13-14-15/h2-4,6,16H,5,7,12H2,1H3
InChIKeyDKEUTGBWDILRRM-UHFFFAOYSA-N
XLogP0.71
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol (CID 91087646) is [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol is Cc1ccc(N)cc1Cn1cc(CO)nn1.
What is the InChIKey of [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is DKEUTGBWDILRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-2-3-10(12)4-9(8)5-15-6-11(7-16)13-14-15/h2-4,6,16H,5,7,12H2,1H3.
What are the key properties of [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol?
[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 218.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 91087646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).