4-(furan-2-yl)-2-phenyltriazole

C12H9N3O — CID 12752145

IUPAC4-(furan-2-yl)-2-phenyltriazole
SMILESc1ccc(-n2ncc(-c3ccco3)n2)cc1
InChIInChI=1S/C12H9N3O/c1-2-5-10(6-3-1)15-13-9-11(14-15)12-7-4-8-16-12/h1-9H
InChIKeyPLJXLGGTDJGVCY-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.53
Rot. Bonds2

About 4-(furan-2-yl)-2-phenyltriazole

4-(furan-2-yl)-2-phenyltriazole (PubChem CID 12752145) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-phenyltriazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-phenyltriazole
PubChem CID12752145
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-(furan-2-yl)-2-phenyltriazole
SMILESc1ccc(-n2ncc(-c3ccco3)n2)cc1
InChIInChI=1S/C12H9N3O/c1-2-5-10(6-3-1)15-13-9-11(14-15)12-7-4-8-16-12/h1-9H
InChIKeyPLJXLGGTDJGVCY-UHFFFAOYSA-N
XLogP2.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[4-(2-phenylethenyl)phenyl]triazole
CID 70598858
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90508868
phenyl-(2-phenyltriazol-4-yl)diazene
CID 12597172
6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 62202637
5-bromo-4-chloro-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66312088
(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
CID 105150494
5-iodo-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 66297847
5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66311254
6-(furan-2-yl)-1-(2-methylpropyl)imidazo[2,1-e]pyrazole
CID 121214971
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
3-(furan-2-yl)-1,2-oxazole
CID 11147745
1-(2-phenyltriazol-4-yl)cyclopropan-1-ol
CID 62668959

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-phenyltriazole?
The IUPAC name of 4-(furan-2-yl)-2-phenyltriazole (CID 12752145) is 4-(furan-2-yl)-2-phenyltriazole.
What is the SMILES notation for 4-(furan-2-yl)-2-phenyltriazole?
The canonical SMILES for 4-(furan-2-yl)-2-phenyltriazole is c1ccc(-n2ncc(-c3ccco3)n2)cc1.
What is the InChIKey of 4-(furan-2-yl)-2-phenyltriazole?
The InChIKey is PLJXLGGTDJGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-5-10(6-3-1)15-13-9-11(14-15)12-7-4-8-16-12/h1-9H.
What are the key properties of 4-(furan-2-yl)-2-phenyltriazole?
4-(furan-2-yl)-2-phenyltriazole has a molecular weight of 211.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-phenyltriazole is sourced from PubChem (CID 12752145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).