8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C7H7N5O2 — CID 58608838

IUPAC8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H7N5O2/c1-4(13)5-6-9-10-11(2)7(14)12(6)3-8-5/h3H,1-2H3
InChIKeyQXYCTGXCOQXVRU-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.97
Rot. Bonds1

About 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 58608838) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID58608838
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCC(=O)c1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C7H7N5O2/c1-4(13)5-6-9-10-11(2)7(14)12(6)3-8-5/h3H,1-2H3
InChIKeyQXYCTGXCOQXVRU-UHFFFAOYSA-N
XLogP-0.97
TPSA82.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 58608838) is 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is CC(=O)c1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is QXYCTGXCOQXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-4(13)5-6-9-10-11(2)7(14)12(6)3-8-5/h3H,1-2H3.
What are the key properties of 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 193.17 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 58608838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).