4-(3-methyl-1,2,4-triazol-1-yl)phenol

C9H9N3O — CID 66778015

IUPAC4-(3-methyl-1,2,4-triazol-1-yl)phenol
SMILESCc1ncn(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N3O/c1-7-10-6-12(11-7)8-2-4-9(13)5-3-8/h2-6,13H,1H3
InChIKeyWVUZLRQIWWGTSA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.28
Rot. Bonds1

About 4-(3-methyl-1,2,4-triazol-1-yl)phenol

4-(3-methyl-1,2,4-triazol-1-yl)phenol (PubChem CID 66778015) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-triazol-1-yl)phenol
PubChem CID66778015
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(3-methyl-1,2,4-triazol-1-yl)phenol
SMILESCc1ncn(-c2ccc(O)cc2)n1
InChIInChI=1S/C9H9N3O/c1-7-10-6-12(11-7)8-2-4-9(13)5-3-8/h2-6,13H,1H3
InChIKeyWVUZLRQIWWGTSA-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-triazol-1-yl)phenol?
The IUPAC name of 4-(3-methyl-1,2,4-triazol-1-yl)phenol (CID 66778015) is 4-(3-methyl-1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 4-(3-methyl-1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 4-(3-methyl-1,2,4-triazol-1-yl)phenol is Cc1ncn(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-triazol-1-yl)phenol?
The InChIKey is WVUZLRQIWWGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7-10-6-12(11-7)8-2-4-9(13)5-3-8/h2-6,13H,1H3.
What are the key properties of 4-(3-methyl-1,2,4-triazol-1-yl)phenol?
4-(3-methyl-1,2,4-triazol-1-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 66778015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).