N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide

C17H16N4O2S — CID 135872298

IUPACN-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccs2)[nH]c1=O)NCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(18-11-12-5-2-1-3-6-12)9-8-13-17(23)19-16(21-20-13)14-7-4-10-24-14/h1-7,10H,8-9,11H2,(H,18,22)(H,19,21,23)
InChIKeySGYLZXACTXFJMZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.14
Rot. Bonds6

About N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide

N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide (PubChem CID 135872298) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
PubChem CID135872298
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccs2)[nH]c1=O)NCc1ccccc1
InChIInChI=1S/C17H16N4O2S/c22-15(18-11-12-5-2-1-3-6-12)9-8-13-17(23)19-16(21-20-13)14-7-4-10-24-14/h1-7,10H,8-9,11H2,(H,18,22)(H,19,21,23)
InChIKeySGYLZXACTXFJMZ-UHFFFAOYSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
CID 136858480
3-(5-oxo-3-phenyl-4H-1,2,4-triazin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 135868790
N-[(3-fluorophenyl)methyl]-3-(5-oxo-3-phenyl-4H-1,2,4-triazin-6-yl)propanamide
CID 135872233
N-benzyl-3-[3-(4-ethoxy-3-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859320
N-benzyl-3-[3-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872131
3-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-benzylpropanamide
CID 135868920
3-[3-(3-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
CID 135868952
3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
CID 135872439
3-[3-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 135859036
N-benzyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901344
3-[3-(3,5-dimethoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 135868877
N-[(3-fluorophenyl)methyl]-3-[5-oxo-3-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazin-6-yl]propanamide
CID 135872279

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide?
The IUPAC name of N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide (CID 135872298) is N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide?
The canonical SMILES for N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide is O=C(CCc1nnc(-c2cccs2)[nH]c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide?
The InChIKey is SGYLZXACTXFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-15(18-11-12-5-2-1-3-6-12)9-8-13-17(23)19-16(21-20-13)14-7-4-10-24-14/h1-7,10H,8-9,11H2,(H,18,22)(H,19,21,23).
What are the key properties of N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide?
N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide has a molecular weight of 340.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide is sourced from PubChem (CID 135872298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).