3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one

C7H8N6O — CID 118697939

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one
SMILESCc1cc(C)n(-c2nnc(=O)[nH]n2)n1
InChIInChI=1S/C7H8N6O/c1-4-3-5(2)13(12-4)6-8-10-7(14)11-9-6/h3H,1-2H3,(H,10,11,14)
InChIKeyOCBZLNWFQWOYDM-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.64
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one

3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one (PubChem CID 118697939) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one
PubChem CID118697939
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one
SMILESCc1cc(C)n(-c2nnc(=O)[nH]n2)n1
InChIInChI=1S/C7H8N6O/c1-4-3-5(2)13(12-4)6-8-10-7(14)11-9-6/h3H,1-2H3,(H,10,11,14)
InChIKeyOCBZLNWFQWOYDM-UHFFFAOYSA-N
XLogP-0.64
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one (CID 118697939) is 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one is Cc1cc(C)n(-c2nnc(=O)[nH]n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one?
The InChIKey is OCBZLNWFQWOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-4-3-5(2)13(12-4)6-8-10-7(14)11-9-6/h3H,1-2H3,(H,10,11,14).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one?
3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one has a molecular weight of 192.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4,5-tetrazin-6-one is sourced from PubChem (CID 118697939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).