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

C15H13N3O — CID 122501201

IUPAC3-[4-(4-methylphenyl)triazol-1-yl]phenol
SMILESCc1ccc(-c2cn(-c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)15-10-18(17-16-15)13-3-2-4-14(19)9-13/h2-10,19H,1H3
InChIKeyDWANLDPOPOISBO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds2

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

3-[4-(4-methylphenyl)triazol-1-yl]phenol (PubChem CID 122501201) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)triazol-1-yl]phenol
PubChem CID122501201
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-[4-(4-methylphenyl)triazol-1-yl]phenol
SMILESCc1ccc(-c2cn(-c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)15-10-18(17-16-15)13-3-2-4-14(19)9-13/h2-10,19H,1H3
InChIKeyDWANLDPOPOISBO-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)triazol-1-yl]phenol?
The IUPAC name of 3-[4-(4-methylphenyl)triazol-1-yl]phenol (CID 122501201) is 3-[4-(4-methylphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 3-[4-(4-methylphenyl)triazol-1-yl]phenol?
The canonical SMILES for 3-[4-(4-methylphenyl)triazol-1-yl]phenol is Cc1ccc(-c2cn(-c3cccc(O)c3)nn2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)triazol-1-yl]phenol?
The InChIKey is DWANLDPOPOISBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-5-7-12(8-6-11)15-10-18(17-16-15)13-3-2-4-14(19)9-13/h2-10,19H,1H3.
What are the key properties of 3-[4-(4-methylphenyl)triazol-1-yl]phenol?
3-[4-(4-methylphenyl)triazol-1-yl]phenol has a molecular weight of 251.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 122501201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).