4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole

C20H17N3O — CID 1289597

IUPAC4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2ccco2)cc1C
InChIInChI=1S/C20H17N3O/c1-14-10-11-17(13-15(14)2)23-19(16-7-4-3-5-8-16)21-22-20(23)18-9-6-12-24-18/h3-13H,1-2H3
InChIKeyWBBFNDNFGGHFJD-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.81
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole

4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole (PubChem CID 1289597) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole
PubChem CID1289597
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2ccco2)cc1C
InChIInChI=1S/C20H17N3O/c1-14-10-11-17(13-15(14)2)23-19(16-7-4-3-5-8-16)21-22-20(23)18-9-6-12-24-18/h3-13H,1-2H3
InChIKeyWBBFNDNFGGHFJD-UHFFFAOYSA-N
XLogP4.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 920285
5-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 30777342
4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 2561366
5-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1,2-oxazole
CID 55441820
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 37078179
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
1-(3,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
CID 82370881
5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55530401
4-amino-6-(furan-2-yl)-3-phenyl-1,2,4-triazin-5-one
CID 22757923
4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
4-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 31723229

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole (CID 1289597) is 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole is Cc1ccc(-n2c(-c3ccccc3)nnc2-c2ccco2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole?
The InChIKey is WBBFNDNFGGHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-10-11-17(13-15(14)2)23-19(16-7-4-3-5-8-16)21-22-20(23)18-9-6-12-24-18/h3-13H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole?
4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole has a molecular weight of 315.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-3-(furan-2-yl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 1289597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).