5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C12H17N9O2 — CID 157076599

IUPAC5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCNC(=O)n1cnc(C)c1N.Cc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C6H7N5O.C6H10N4O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4;1-4-5(7)10(3-9-4)6(11)8-2/h3H,1-2H3;3H,7H2,1-2H3,(H,8,11)
InChIKeyADASFSFSYQGPQJ-UHFFFAOYSA-N
MW319.33 g/mol
LogP-0.91
Rot. Bonds

About 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 157076599) has the molecular formula C12H17N9O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID157076599
Molecular FormulaC12H17N9O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCNC(=O)n1cnc(C)c1N.Cc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C6H7N5O.C6H10N4O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4;1-4-5(7)10(3-9-4)6(11)8-2/h3H,1-2H3;3H,7H2,1-2H3,(H,8,11)
InChIKeyADASFSFSYQGPQJ-UHFFFAOYSA-N
XLogP-0.91
TPSA138.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 157076599) is 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is CNC(=O)n1cnc(C)c1N.Cc1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is ADASFSFSYQGPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.C6H10N4O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4;1-4-5(7)10(3-9-4)6(11)8-2/h3H,1-2H3;3H,7H2,1-2H3,(H,8,11).
What are the key properties of 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 319.33 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,4-dimethylimidazole-1-carboxamide;3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 157076599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).