3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide

C32H25N7O — CID 68650987

IUPAC3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1-c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C32H25N7O/c33-29-28(30-37-31(23-13-6-2-7-14-23)39(38-30)26-17-8-3-9-18-26)36-27(21-34-29)24-15-10-16-25(19-24)32(40)35-20-22-11-4-1-5-12-22/h1-19,21H,20H2,(H2,33,34)(H,35,40)
InChIKeyKJCHAMKGLUQASH-UHFFFAOYSA-N
MW523.60 g/mol
LogP5.57
Rot. Bonds7

About 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide

3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide (PubChem CID 68650987) has the molecular formula C32H25N7O and a molecular weight of 523.60 g/mol. Its IUPAC name is 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
PubChem CID68650987
Molecular FormulaC32H25N7O
Molecular Weight523.60 g/mol
Exact Mass523.21
IUPAC Name3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1-c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C32H25N7O/c33-29-28(30-37-31(23-13-6-2-7-14-23)39(38-30)26-17-8-3-9-18-26)36-27(21-34-29)24-15-10-16-25(19-24)32(40)35-20-22-11-4-1-5-12-22/h1-19,21H,20H2,(H2,33,34)(H,35,40)
InChIKeyKJCHAMKGLUQASH-UHFFFAOYSA-N
XLogP5.57
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
3-[5-amino-6-[(Z)-N'-anilinocarbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 140507460
2-[2-[2-[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazin-2-yl]ethylidene]hydrazinyl]acetic acid
CID 68801356
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751
3-[5-amino-6-[4-(dimethylamino)benzoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68651666
3-[5-amino-6-[(Z)-N'-(azepan-1-yl)carbamimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530678
3-[5-amino-6-[(E)-(diaminomethylidenehydrazinylidene)methyl]pyrazin-2-yl]-N-benzylbenzamide
CID 87530745
3-[5-amino-6-[1-(methyldiazenyl)ethyl]pyrazin-2-yl]-N-benzylbenzamide
CID 91486807
3-[5-amino-6-[N-(carbamohydrazonoylamino)-C-methylcarbonimidoyl]pyrazin-2-yl]-N-benzylbenzamide
CID 90946975
3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650566
3-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]propyl N-(2-methylpropyl)carbamate
CID 90992558

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide?
The IUPAC name of 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide (CID 68650987) is 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide.
What is the SMILES notation for 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide?
The canonical SMILES for 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide is Nc1ncc(-c2cccc(C(=O)NCc3ccccc3)c2)nc1-c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide?
The InChIKey is KJCHAMKGLUQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7O/c33-29-28(30-37-31(23-13-6-2-7-14-23)39(38-30)26-17-8-3-9-18-26)36-27(21-34-29)24-15-10-16-25(19-24)32(40)35-20-22-11-4-1-5-12-22/h1-19,21H,20H2,(H2,33,34)(H,35,40).
What are the key properties of 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide?
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide has a molecular weight of 523.60 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide is sourced from PubChem (CID 68650987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).