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

C13H10N4O — CID 52941336

IUPAC4-(1-pyridin-3-yltriazol-4-yl)phenol
SMILESOc1ccc(-c2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C13H10N4O/c18-12-5-3-10(4-6-12)13-9-17(16-15-13)11-2-1-7-14-8-11/h1-9,18H
InChIKeyUYFSJPHYOWKFAK-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.03
Rot. Bonds2

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

4-(1-pyridin-3-yltriazol-4-yl)phenol (PubChem CID 52941336) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(1-pyridin-3-yltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(1-pyridin-3-yltriazol-4-yl)phenol
PubChem CID52941336
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-(1-pyridin-3-yltriazol-4-yl)phenol
SMILESOc1ccc(-c2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C13H10N4O/c18-12-5-3-10(4-6-12)13-9-17(16-15-13)11-2-1-7-14-8-11/h1-9,18H
InChIKeyUYFSJPHYOWKFAK-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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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-3-yltriazol-4-yl)phenol?
The IUPAC name of 4-(1-pyridin-3-yltriazol-4-yl)phenol (CID 52941336) is 4-(1-pyridin-3-yltriazol-4-yl)phenol.
What is the SMILES notation for 4-(1-pyridin-3-yltriazol-4-yl)phenol?
The canonical SMILES for 4-(1-pyridin-3-yltriazol-4-yl)phenol is Oc1ccc(-c2cn(-c3cccnc3)nn2)cc1.
What is the InChIKey of 4-(1-pyridin-3-yltriazol-4-yl)phenol?
The InChIKey is UYFSJPHYOWKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-12-5-3-10(4-6-12)13-9-17(16-15-13)11-2-1-7-14-8-11/h1-9,18H.
What are the key properties of 4-(1-pyridin-3-yltriazol-4-yl)phenol?
4-(1-pyridin-3-yltriazol-4-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-(1-pyridin-3-yltriazol-4-yl)phenol is sourced from PubChem (CID 52941336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).