[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol

C10H12N4O — CID 67516075

IUPAC[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol
SMILESNc1cccc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C10H12N4O/c11-9-3-1-2-8(4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7,11H2
InChIKeyQNSGFHOTCXZMBP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.40
Rot. Bonds3

About [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol

[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol (PubChem CID 67516075) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol
PubChem CID67516075
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol
SMILESNc1cccc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C10H12N4O/c11-9-3-1-2-8(4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7,11H2
InChIKeyQNSGFHOTCXZMBP-UHFFFAOYSA-N
XLogP0.40
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.40
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-[(3-aminophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol (CID 67516075) is [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol is Nc1cccc(Cn2cc(CO)nn2)c1.
What is the InChIKey of [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is QNSGFHOTCXZMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9-3-1-2-8(4-9)5-14-6-10(7-15)12-13-14/h1-4,6,15H,5,7,11H2.
What are the key properties of [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol?
[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 204.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-aminophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 67516075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).