2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide

C12H11N5O3S — CID 135996863

IUPAC2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nncc(=O)[nH]1
InChIInChI=1S/C12H11N5O3S/c13-11(20)7-3-1-2-4-8(7)15-10(19)6-21-12-16-9(18)5-14-17-12/h1-5H,6H2,(H2,13,20)(H,15,19)(H,16,17,18)
InChIKeySMYSTJKLUGDBBD-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide

2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 135996863) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID135996863
Molecular FormulaC12H11N5O3S
Molecular Weight305.32 g/mol
Exact Mass305.06
IUPAC Name2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nncc(=O)[nH]1
InChIInChI=1S/C12H11N5O3S/c13-11(20)7-3-1-2-4-8(7)15-10(19)6-21-12-16-9(18)5-14-17-12/h1-5H,6H2,(H2,13,20)(H,15,19)(H,16,17,18)
InChIKeySMYSTJKLUGDBBD-UHFFFAOYSA-N
XLogP-0.01
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide with MolForge

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Related Compounds

N-(2-hydroxyphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135552212
N-(2,3-dichlorophenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425366
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
2-[[2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135996140
N-benzyl-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135445462
N-(4-acetylphenyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135425382
ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135552142
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
N-(3-methylbutyl)-2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135634815
2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 135784426
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-iodophenyl)acetamide
CID 135990099
N-(2-acetylphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 136687745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide (CID 135996863) is 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CSc1nncc(=O)[nH]1.
What is the InChIKey of 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is SMYSTJKLUGDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c13-11(20)7-3-1-2-4-8(7)15-10(19)6-21-12-16-9(18)5-14-17-12/h1-5H,6H2,(H2,13,20)(H,15,19)(H,16,17,18).
What are the key properties of 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide?
2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 305.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 135996863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).