3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C12H11N7O4S — CID 166960744

IUPAC3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)ncn2c1=O
InChIInChI=1S/C12H11N7O4S/c1-18-12(21)19-6-14-9(10(19)16-17-18)11(20)15-7-3-2-4-8(5-7)24(13,22)23/h2-6H,1H3,(H,15,20)(H2,13,22,23)
InChIKeyLVQIXPWJYJIZJL-UHFFFAOYSA-N
MW349.33 g/mol
LogP-1.28
Rot. Bonds3

About 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 166960744) has the molecular formula C12H11N7O4S and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID166960744
Molecular FormulaC12H11N7O4S
Molecular Weight349.33 g/mol
Exact Mass349.06
IUPAC Name3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)ncn2c1=O
InChIInChI=1S/C12H11N7O4S/c1-18-12(21)19-6-14-9(10(19)16-17-18)11(20)15-7-3-2-4-8(5-7)24(13,22)23/h2-6H,1H3,(H,15,20)(H2,13,22,23)
InChIKeyLVQIXPWJYJIZJL-UHFFFAOYSA-N
XLogP-1.28
TPSA154.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide with MolForge

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Related Compounds

3-methyl-N-[[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]methyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10763498
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
CID 10954410
8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 58608838
[2-fluoro-3-[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]phenyl]methyl formate
CID 169074279
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-sulfamoylphenyl)propanamide
CID 25390507
N-(3-chloro-5-sulfamoylcyclohexyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960864
4-amino-5-methyl-N-(3-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 62083333
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
CID 4020636
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 166960744) is 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)ncn2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is LVQIXPWJYJIZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O4S/c1-18-12(21)19-6-14-9(10(19)16-17-18)11(20)15-7-3-2-4-8(5-7)24(13,22)23/h2-6H,1H3,(H,15,20)(H2,13,22,23).
What are the key properties of 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 349.33 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(3-sulfamoylphenyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 166960744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).