[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol

C14H12N4O — CID 162659396

IUPAC[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C14H12N4O/c19-10-11-3-5-12(6-4-11)14-9-18(17-16-14)13-2-1-7-15-8-13/h1-9,19H,10H2
InChIKeyCEJVWFHYFRXNEU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol

[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol (PubChem CID 162659396) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol
PubChem CID162659396
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol
SMILESOCc1ccc(-c2cn(-c3cccnc3)nn2)cc1
InChIInChI=1S/C14H12N4O/c19-10-11-3-5-12(6-4-11)14-9-18(17-16-14)13-2-1-7-15-8-13/h1-9,19H,10H2
InChIKeyCEJVWFHYFRXNEU-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
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)phenyl]methanol?
The IUPAC name of [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol (CID 162659396) is [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol?
The canonical SMILES for [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol is OCc1ccc(-c2cn(-c3cccnc3)nn2)cc1.
What is the InChIKey of [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol?
The InChIKey is CEJVWFHYFRXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-10-11-3-5-12(6-4-11)14-9-18(17-16-14)13-2-1-7-15-8-13/h1-9,19H,10H2.
What are the key properties of [4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol?
[4-(1-pyridin-3-yltriazol-4-yl)phenyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 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)phenyl]methanol is sourced from PubChem (CID 162659396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).