4-(2-methyltriazol-4-yl)phenol

C9H9N3O — CID 135481121

IUPAC4-(2-methyltriazol-4-yl)phenol
SMILESCn1ncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N3O/c1-12-10-6-9(11-12)7-2-4-8(13)5-3-7/h2-6,13H,1H3
InChIKeyPGBYYNPTQXBAOK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.19
Rot. Bonds1

About 4-(2-methyltriazol-4-yl)phenol

4-(2-methyltriazol-4-yl)phenol (PubChem CID 135481121) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(2-methyltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-methyltriazol-4-yl)phenol
PubChem CID135481121
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(2-methyltriazol-4-yl)phenol
SMILESCn1ncc(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N3O/c1-12-10-6-9(11-12)7-2-4-8(13)5-3-7/h2-6,13H,1H3
InChIKeyPGBYYNPTQXBAOK-UHFFFAOYSA-N
XLogP1.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,3-triazol-5-yl)phenol
CID 9815283
4-(1H-1,2,3-triazol-5-yl)phenol
CID 135446116
2-(1H-1,2,3-triazol-4-yl)-phenol
CID 135482065
5-(4-Methoxyphenyl)-1H-1,2,3-triazole
CID 600260
4-{4-[3-(trifluoromethyl)phenyl]-2H-1,2,3-triazol-2-yl}phenol
CID 165900691
4-(1H-pyrazol-3-yl)phenol
CID 135685725
4-[1-[(2-Methylphenyl)methyl]triazol-4-yl]phenol
CID 52944087
4-[1-[(3-Methylphenyl)methyl]triazol-4-yl]phenol
CID 52948301
4-(1-Benzyltriazol-4-yl)phenol
CID 52947093
4-[[4-(4-Hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57399006
4-(2-Phenyltriazol-4-yl)phenol
CID 135541862
3-[[5-(4-Hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 136126500

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltriazol-4-yl)phenol?
The IUPAC name of 4-(2-methyltriazol-4-yl)phenol (CID 135481121) is 4-(2-methyltriazol-4-yl)phenol.
What is the SMILES notation for 4-(2-methyltriazol-4-yl)phenol?
The canonical SMILES for 4-(2-methyltriazol-4-yl)phenol is Cn1ncc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(2-methyltriazol-4-yl)phenol?
The InChIKey is PGBYYNPTQXBAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-10-6-9(11-12)7-2-4-8(13)5-3-7/h2-6,13H,1H3.
What are the key properties of 4-(2-methyltriazol-4-yl)phenol?
4-(2-methyltriazol-4-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltriazol-4-yl)phenol is sourced from PubChem (CID 135481121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).