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

C6H7N5O — CID 23546854

IUPAC3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C6H7N5O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4/h3H,1-2H3
InChIKeySLYAKFNETBOCEE-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.87
Rot. Bonds

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

3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 23546854) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID23546854
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCc1ncn2c(=O)n(C)nnc12
InChIInChI=1S/C6H7N5O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4/h3H,1-2H3
InChIKeySLYAKFNETBOCEE-UHFFFAOYSA-N
XLogP-0.87
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 23546854) is 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is Cc1ncn2c(=O)n(C)nnc12.
What is the InChIKey of 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is SLYAKFNETBOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-4-5-8-9-10(2)6(12)11(5)3-7-4/h3H,1-2H3.
What are the key properties of 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 165.16 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 23546854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).