3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C12H12N12O4 — CID 68575558

IUPAC3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/2C6H6N6O2/c2*1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2*2H,1H3,(H2,7,13)
InChIKeyZUUWGPCOGUHTCE-UHFFFAOYSA-N
MW388.31 g/mol
LogP-4.16
Rot. Bonds2

About 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 68575558) has the molecular formula C12H12N12O4 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID68575558
Molecular FormulaC12H12N12O4
Molecular Weight388.31 g/mol
Exact Mass388.11
IUPAC Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2c1=O.Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/2C6H6N6O2/c2*1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2*2H,1H3,(H2,7,13)
InChIKeyZUUWGPCOGUHTCE-UHFFFAOYSA-N
XLogP-4.16
TPSA216.34 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 5-4.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 68575558) is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(N)=O)ncn2c1=O.Cn1nnc2c(C(N)=O)ncn2c1=O.
What is the InChIKey of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is ZUUWGPCOGUHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6N6O2/c2*1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2*2H,1H3,(H2,7,13).
What are the key properties of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 388.31 g/mol, XLogP of -4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 68575558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).