N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C12H12N4O2S — CID 135445462

IUPACN-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)NCc1ccccc1
InChIInChI=1S/C12H12N4O2S/c17-10-7-14-16-12(15-10)19-8-11(18)13-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,13,18)(H,15,16,17)
InChIKeyPEIUFXOOFCYYME-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.57
Rot. Bonds5

About N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135445462) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135445462
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nncc(=O)[nH]1)NCc1ccccc1
InChIInChI=1S/C12H12N4O2S/c17-10-7-14-16-12(15-10)19-8-11(18)13-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,13,18)(H,15,16,17)
InChIKeyPEIUFXOOFCYYME-UHFFFAOYSA-N
XLogP0.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135888164
N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135552212
2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
CID 135996863
N-(3-methylbutyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135634815
N-benzyl-2-phthalazin-1-ylsulfanylacetamide
CID 6415882
2-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-methylacetamide
CID 136616962
N-benzyl-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136687382
2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 135784426
N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425366
N-benzyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2301911
N-[4-amino-2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714745
3-(naphthalen-1-ylmethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 135764102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135445462) is N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is O=C(CSc1nncc(=O)[nH]1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is PEIUFXOOFCYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c17-10-7-14-16-12(15-10)19-8-11(18)13-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,13,18)(H,15,16,17).
What are the key properties of N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135445462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).