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

C13H13N7O4S — CID 121382999

IUPAC3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ncn2c1=O
InChIInChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)
InChIKeyMAXVDLFMMNGPFA-UHFFFAOYSA-N
MW363.36 g/mol
LogP-1.60
Rot. Bonds4

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

3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 121382999) has the molecular formula C13H13N7O4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID121382999
Molecular FormulaC13H13N7O4S
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ncn2c1=O
InChIInChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24)
InChIKeyMAXVDLFMMNGPFA-UHFFFAOYSA-N
XLogP-1.60
TPSA154.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 121382999) is 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ncn2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is MAXVDLFMMNGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O4S/c1-19-13(22)20-7-16-10(11(20)17-18-19)12(21)15-6-8-2-4-9(5-3-8)25(14,23)24/h2-5,7H,6H2,1H3,(H,15,21)(H2,14,23,24).
What are the key properties of 3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-4-oxo-N-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 363.36 g/mol, XLogP of -1.60, 4 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-[(4-sulfamoylphenyl)methyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 121382999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).