3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

C7H8N6O — CID 59835516

IUPAC3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC/N=C/c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H8N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h3-4H,1-2H3/b8-3+
InChIKeyTYWCIARDQBBQLJ-FPYGCLRLSA-N
MW192.18 g/mol
LogP-1.13
Rot. Bonds1

About 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one

3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 59835516) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID59835516
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC/N=C/c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H8N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h3-4H,1-2H3/b8-3+
InChIKeyTYWCIARDQBBQLJ-FPYGCLRLSA-N
XLogP-1.13
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,7-Dimethylisoguanine
CID 12205232
8-Methyl-imidazo[1,5-d]-as-triazin-4(3H)-one
CID 13548685
3-Ethyl-8-methyl-6-propylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548693
9-Methyl-9H-purin-2-ol
CID 23422301
8-Methyl-3-prop-2-enylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548725
3,6,8-Trimethylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548731
3-Ethyl-8-methyl-6-propan-2-ylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548732
3,6-Diethyl-8-methylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548733
3,8-Dimethyl-6-propylimidazo[1,5-d][1,2,4]triazin-4-one
CID 13548736
9-methyl-2,9-dihydro-1H-purin-2-one dihydrochloride
CID 137944714
3,7-Dimethylpurine
CID 129778317
3,7-Dihydro-3,7-dimethyl-2H-purin-2-one
CID 129778833

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 59835516) is 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is C/N=C/c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is TYWCIARDQBBQLJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H8N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h3-4H,1-2H3/b8-3+.
What are the key properties of 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 192.18 g/mol, XLogP of -1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methyliminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 59835516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).