[1-(3-methylphenyl)triazol-4-yl]methanol

C10H11N3O — CID 56659983

IUPAC[1-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)nn2)c1
InChIInChI=1S/C10H11N3O/c1-8-3-2-4-10(5-8)13-6-9(7-14)11-12-13/h2-6,14H,7H2,1H3
InChIKeyIMLNWVOSWXQXDJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.07
Rot. Bonds2

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

[1-(3-methylphenyl)triazol-4-yl]methanol (PubChem CID 56659983) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [1-(3-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylphenyl)triazol-4-yl]methanol
PubChem CID56659983
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[1-(3-methylphenyl)triazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)nn2)c1
InChIInChI=1S/C10H11N3O/c1-8-3-2-4-10(5-8)13-6-9(7-14)11-12-13/h2-6,14H,7H2,1H3
InChIKeyIMLNWVOSWXQXDJ-UHFFFAOYSA-N
XLogP1.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-methylphenyl)triazol-4-yl]methanol (CID 56659983) is [1-(3-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-methylphenyl)triazol-4-yl]methanol is Cc1cccc(-n2cc(CO)nn2)c1.
What is the InChIKey of [1-(3-methylphenyl)triazol-4-yl]methanol?
The InChIKey is IMLNWVOSWXQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-3-2-4-10(5-8)13-6-9(7-14)11-12-13/h2-6,14H,7H2,1H3.
What are the key properties of [1-(3-methylphenyl)triazol-4-yl]methanol?
[1-(3-methylphenyl)triazol-4-yl]methanol has a molecular weight of 189.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56659983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).