3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide

C6H7N6O2+ — CID 135903528

IUPAC3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide
SMILESCn1nnc2c(C(N)=O)[nH+]cn2c1=O
InChIInChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/p+1
InChIKeyBPEGJWRSRHCHSN-UHFFFAOYSA-O
MW195.16 g/mol
LogP-2.66
Rot. Bonds1

About 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide (PubChem CID 135903528) has the molecular formula C6H7N6O2+ and a molecular weight of 195.16 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide
PubChem CID135903528
Molecular FormulaC6H7N6O2+
Molecular Weight195.16 g/mol
Exact Mass195.06
IUPAC Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide
SMILESCn1nnc2c(C(N)=O)[nH+]cn2c1=O
InChIInChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/p+1
InChIKeyBPEGJWRSRHCHSN-UHFFFAOYSA-O
XLogP-2.66
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide?
The IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide (CID 135903528) is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide is Cn1nnc2c(C(N)=O)[nH+]cn2c1=O.
What is the InChIKey of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide?
The InChIKey is BPEGJWRSRHCHSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)/p+1.
What are the key properties of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide?
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide has a molecular weight of 195.16 g/mol, XLogP of -2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-7-ium-8-carboxamide is sourced from PubChem (CID 135903528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).