ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

C10H15N3O2 — CID 145188011

IUPACethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCC.Cc1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C8H9N3O2.C2H6/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4;1-2/h2-3H2,1H3,(H,9,12)(H,11,13);1-2H3
InChIKeyCYALCCOGUOOALU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds

About ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (PubChem CID 145188011) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.

Molecular Properties

Compound Nameethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
PubChem CID145188011
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCC.Cc1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C8H9N3O2.C2H6/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4;1-2/h2-3H2,1H3,(H,9,12)(H,11,13);1-2H3
InChIKeyCYALCCOGUOOALU-UHFFFAOYSA-N
XLogP0.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The IUPAC name of ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (CID 145188011) is ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.
What is the SMILES notation for ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The canonical SMILES for ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is CC.Cc1n[nH]c(=O)c2c1CCNC2=O.
What is the InChIKey of ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The InChIKey is CYALCCOGUOOALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.C2H6/c1-4-5-2-3-9-7(12)6(5)8(13)11-10-4;1-2/h2-3H2,1H3,(H,9,12)(H,11,13);1-2H3.
What are the key properties of ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione has a molecular weight of 209.25 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is sourced from PubChem (CID 145188011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).