[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol

C12H15N3O — CID 110005283

IUPAC[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol
SMILESCc1nc(C)n(Cc2ccc(CO)cc2)n1
InChIInChI=1S/C12H15N3O/c1-9-13-10(2)15(14-9)7-11-3-5-12(8-16)6-4-11/h3-6,16H,7-8H2,1-2H3
InChIKeyVDXXACIUFPOTHP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol

[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol (PubChem CID 110005283) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol
PubChem CID110005283
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol
SMILESCc1nc(C)n(Cc2ccc(CO)cc2)n1
InChIInChI=1S/C12H15N3O/c1-9-13-10(2)15(14-9)7-11-3-5-12(8-16)6-4-11/h3-6,16H,7-8H2,1-2H3
InChIKeyVDXXACIUFPOTHP-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol (CID 110005283) is [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol is Cc1nc(C)n(Cc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol?
The InChIKey is VDXXACIUFPOTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-13-10(2)15(14-9)7-11-3-5-12(8-16)6-4-11/h3-6,16H,7-8H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol?
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 110005283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).