3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide

C6H6N6O2 — CID 10954410

IUPAC3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2[11c]1=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)/i6-1
InChIKeyBPEGJWRSRHCHSN-KWCOIAHCSA-N
MW193.15 g/mol
LogP-2.08
Rot. Bonds1

About 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide

3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide (PubChem CID 10954410) has the molecular formula C6H6N6O2 and a molecular weight of 193.15 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
PubChem CID10954410
Molecular FormulaC6H6N6O2
Molecular Weight193.15 g/mol
Exact Mass193.07
IUPAC Name3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide
SMILESCn1nnc2c(C(N)=O)ncn2[11c]1=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)/i6-1
InChIKeyBPEGJWRSRHCHSN-KWCOIAHCSA-N
XLogP-2.08
TPSA108.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide;hydrate
CID 69172078
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
CID 3352880
8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 58608838
2-hydroxybutanedioic acid;bis(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide)
CID 139255222
3-methyl-N-[[(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)amino]methyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 10763498
N-(iodomethyl)-3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 178130242
3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 21080156
4-amino-1H-imidazole-5-carboxamide;5-carbamoyl-1H-imidazole-4-diazonium;hydron;3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 158103922
(2,4-difluorocyclobutyl) 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 170243001
8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 91564913
3-methyl-N-nonyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 166960747
6-methylheptyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 11709309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide (CID 10954410) is 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide is Cn1nnc2c(C(N)=O)ncn2[11c]1=O.
What is the InChIKey of 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is BPEGJWRSRHCHSN-KWCOIAHCSA-N. 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)/i6-1.
What are the key properties of 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide?
3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 193.15 g/mol, XLogP of -2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoimidazo[5,1-d](611C)[1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 10954410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).