3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C7H8N6O2 — CID 141072149

IUPAC3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCc1nc(C(N)=O)c2nnn(C)c(=O)n12
InChIInChI=1S/C7H8N6O2/c1-3-9-4(5(8)14)6-10-11-12(2)7(15)13(3)6/h1-2H3,(H2,8,14)
InChIKeyCUXSSQOKBIYGKE-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.77
Rot. Bonds1

About 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 141072149) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID141072149
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESCc1nc(C(N)=O)c2nnn(C)c(=O)n12
InChIInChI=1S/C7H8N6O2/c1-3-9-4(5(8)14)6-10-11-12(2)7(15)13(3)6/h1-2H3,(H2,8,14)
InChIKeyCUXSSQOKBIYGKE-UHFFFAOYSA-N
XLogP-1.77
TPSA108.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 141072149) is 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is Cc1nc(C(N)=O)c2nnn(C)c(=O)n12.
What is the InChIKey of 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is CUXSSQOKBIYGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-3-9-4(5(8)14)6-10-11-12(2)7(15)13(3)6/h1-2H3,(H2,8,14).
What are the key properties of 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 208.18 g/mol, XLogP of -1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 141072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).