[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol

C12H15N3O — CID 62400894

IUPAC[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
SMILESCC(C)c1ccccc1-n1cc(CO)nn1
InChIInChI=1S/C12H15N3O/c1-9(2)11-5-3-4-6-12(11)15-7-10(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3
InChIKeyQECXKUYFPSMONN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds3

About [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol

[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol (PubChem CID 62400894) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
PubChem CID62400894
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol
SMILESCC(C)c1ccccc1-n1cc(CO)nn1
InChIInChI=1S/C12H15N3O/c1-9(2)11-5-3-4-6-12(11)15-7-10(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3
InChIKeyQECXKUYFPSMONN-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol (CID 62400894) is [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol is CC(C)c1ccccc1-n1cc(CO)nn1.
What is the InChIKey of [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol?
The InChIKey is QECXKUYFPSMONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)11-5-3-4-6-12(11)15-7-10(8-16)13-14-15/h3-7,9,16H,8H2,1-2H3.
What are the key properties of [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol?
[1-(2-propan-2-ylphenyl)triazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-propan-2-ylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62400894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).