4-(4-pyridin-3-yltriazol-1-yl)phenol

C13H10N4O — CID 50908754

IUPAC4-(4-pyridin-3-yltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C13H10N4O/c18-12-5-3-11(4-6-12)17-9-13(15-16-17)10-2-1-7-14-8-10/h1-9,18H
InChIKeyYGNSZPMASIQLDX-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.03
Rot. Bonds2

About 4-(4-pyridin-3-yltriazol-1-yl)phenol

4-(4-pyridin-3-yltriazol-1-yl)phenol (PubChem CID 50908754) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(4-pyridin-3-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-pyridin-3-yltriazol-1-yl)phenol
PubChem CID50908754
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(4-pyridin-3-yltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C13H10N4O/c18-12-5-3-11(4-6-12)17-9-13(15-16-17)10-2-1-7-14-8-10/h1-9,18H
InChIKeyYGNSZPMASIQLDX-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-hydroxyphenyl)triazol-4-yl]phenol
CID 44585930
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
3-[1-[4-(5-methylhexyl)phenyl]triazol-4-yl]pyridine
CID 139312462
4-[1-(4-hydroxyphenyl)triazol-4-yl]benzoic acid
CID 82367374
3-(4-pyridin-3-yltriazol-1-yl)benzonitrile
CID 46174400
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
CID 156834081
2,3-dimethyl-5-(4-pyridin-3-yltriazol-1-yl)benzoic acid
CID 141122727
4-[4-(4-ethylphenyl)triazol-1-yl]phenol
CID 122501193
3-[1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazol-4-yl]pyridine
CID 86305328
ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
3,4-dimethyl-5-(4-pyridin-3-yltriazol-1-yl)benzoic acid
CID 21097296

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-yltriazol-1-yl)phenol?
The IUPAC name of 4-(4-pyridin-3-yltriazol-1-yl)phenol (CID 50908754) is 4-(4-pyridin-3-yltriazol-1-yl)phenol.
What is the SMILES notation for 4-(4-pyridin-3-yltriazol-1-yl)phenol?
The canonical SMILES for 4-(4-pyridin-3-yltriazol-1-yl)phenol is Oc1ccc(-n2cc(-c3cccnc3)nn2)cc1.
What is the InChIKey of 4-(4-pyridin-3-yltriazol-1-yl)phenol?
The InChIKey is YGNSZPMASIQLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-12-5-3-11(4-6-12)17-9-13(15-16-17)10-2-1-7-14-8-10/h1-9,18H.
What are the key properties of 4-(4-pyridin-3-yltriazol-1-yl)phenol?
4-(4-pyridin-3-yltriazol-1-yl)phenol has a molecular weight of 238.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-yltriazol-1-yl)phenol is sourced from PubChem (CID 50908754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).