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

C6H4N6O — CID 10986802

IUPAC3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
SMILESCn1nnc2c(C#N)ncn2c1=O
InChIInChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3
InChIKeyVVSHZIRQNZADET-UHFFFAOYSA-N
MW176.14 g/mol
LogP-1.31
Rot. Bonds

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

3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile (PubChem CID 10986802) has the molecular formula C6H4N6O and a molecular weight of 176.14 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
PubChem CID10986802
Molecular FormulaC6H4N6O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
SMILESCn1nnc2c(C#N)ncn2c1=O
InChIInChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3
InChIKeyVVSHZIRQNZADET-UHFFFAOYSA-N
XLogP-1.31
TPSA88.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
CID 13724128
3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
CID 3352880
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
3,7-Dihydro-3,7-dimethyl-2H-purin-2-one
CID 129778833
8-Methyl-3-(2,2,2-trifluoroethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 123700803
5-amino-4-cyano-1H-imidazole-1-carboxamide
CID 124202394
5-Amino-4-cyano-1-formylimidazole
CID 124202397
3,8-Dimethylimidazo[1,5-a][1,3,5]triazin-4-one
CID 12527221
2-amino-8-methyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 136321310
1-(N,N-Dimethylcarbamoyl)-4,5-dicyanoimidazole
CID 23343418
3,8-Dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 23546854
8-[(Z)-methoxyiminomethyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 59835279

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile?
The IUPAC name of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile (CID 10986802) is 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile.
What is the SMILES notation for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile?
The canonical SMILES for 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile is Cn1nnc2c(C#N)ncn2c1=O.
What is the InChIKey of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile?
The InChIKey is VVSHZIRQNZADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6O/c1-11-6(13)12-3-8-4(2-7)5(12)9-10-11/h3H,1H3.
What are the key properties of 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile?
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile has a molecular weight of 176.14 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 7 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-carbonitrile is sourced from PubChem (CID 10986802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).