3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

C25H22N4OS — CID 23832988

IUPAC3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4OS/c1-18-12-14-21(15-13-18)26-22(30)16-17-31-25-27-23(19-8-4-2-5-9-19)24(28-29-25)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)
InChIKeyQDUFXKFKDOQSNC-UHFFFAOYSA-N
MW426.55 g/mol
LogP5.63
Rot. Bonds7

About 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide

3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide (PubChem CID 23832988) has the molecular formula C25H22N4OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
PubChem CID23832988
Molecular FormulaC25H22N4OS
Molecular Weight426.55 g/mol
Exact Mass426.15
IUPAC Name3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4OS/c1-18-12-14-21(15-13-18)26-22(30)16-17-31-25-27-23(19-8-4-2-5-9-19)24(28-29-25)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30)
InChIKeyQDUFXKFKDOQSNC-UHFFFAOYSA-N
XLogP5.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25043417
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23832958
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 23745984
N-[4-[[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186706
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 6407198
N-[4-(acetylsulfamoyl)phenyl]-3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]propanamide
CID 25035336
N-(5-chloro-2-methoxyphenyl)-3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 23804204
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 6406858
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-ethylacetamide
CID 6409463
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 2771875
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 3147368
3-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23945093

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide (CID 23832988) is 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
The InChIKey is QDUFXKFKDOQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS/c1-18-12-14-21(15-13-18)26-22(30)16-17-31-25-27-23(19-8-4-2-5-9-19)24(28-29-25)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,30).
What are the key properties of 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide?
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide has a molecular weight of 426.55 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 23832988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).