4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole

C19H15N3S — CID 829417

IUPAC4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C19H15N3S/c1-14-9-11-16(12-10-14)22-18(15-6-3-2-4-7-15)20-21-19(22)17-8-5-13-23-17/h2-13H,1H3
InChIKeyDXXCGXUHIXJFCJ-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.97
Rot. Bonds3

About 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole

4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 829417) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
PubChem CID829417
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESCc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C19H15N3S/c1-14-9-11-16(12-10-14)22-18(15-6-3-2-4-7-15)20-21-19(22)17-8-5-13-23-17/h2-13H,1H3
InChIKeyDXXCGXUHIXJFCJ-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
CID 10221338
3-Methylthio-4-phenyl-5-(2-thienyl)-1,2,4-triazole
CID 829881
4-(5-Thiophen-2-yl-4-p-tolyl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 654415
3-(Difluoromethylsulfanyl)-4-phenyl-5-thiophen-2-yl-1,2,4-triazole
CID 829880
2-[[4-(4-Methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 974211
4-[(4-Phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile
CID 1292696
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
CID 6866762
5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 16013245
2-[(4,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 573971
4-(4-Phenyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 648130
2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 6866513
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 6867866

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole (CID 829417) is 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole is Cc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is DXXCGXUHIXJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-14-9-11-16(12-10-14)22-18(15-6-3-2-4-7-15)20-21-19(22)17-8-5-13-23-17/h2-13H,1H3.
What are the key properties of 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 317.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 829417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).