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

C7H10N6O — CID 59835570

IUPAC3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCNCc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H10N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h4,8H,3H2,1-2H3
InChIKeyOCGZFHHYFIQNTN-UHFFFAOYSA-N
MW194.20 g/mol
LogP-1.46
Rot. Bonds2

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

3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 59835570) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID59835570
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCNCc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H10N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h4,8H,3H2,1-2H3
InChIKeyOCGZFHHYFIQNTN-UHFFFAOYSA-N
XLogP-1.46
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 59835570) is 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is CNCc1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is OCGZFHHYFIQNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-8-3-5-6-10-11-12(2)7(14)13(6)4-9-5/h4,8H,3H2,1-2H3.
What are the key properties of 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 194.20 g/mol, XLogP of -1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methylaminomethyl)imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 59835570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).