4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C9H13N3O — CID 134987217

IUPAC4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCN(C)C2
InChIInChI=1S/C9H13N3O/c1-6-7-5-12(2)4-3-8(7)10-11-9(6)13/h3-5H2,1-2H3,(H,11,13)
InChIKeyWMCJDWLTMVVJLV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.07
Rot. Bonds

About 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 134987217) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID134987217
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCN(C)C2
InChIInChI=1S/C9H13N3O/c1-6-7-5-12(2)4-3-8(7)10-11-9(6)13/h3-5H2,1-2H3,(H,11,13)
InChIKeyWMCJDWLTMVVJLV-UHFFFAOYSA-N
XLogP0.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 134987217) is 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is Cc1c2c(n[nH]c1=O)CCN(C)C2.
What is the InChIKey of 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is WMCJDWLTMVVJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-7-5-12(2)4-3-8(7)10-11-9(6)13/h3-5H2,1-2H3,(H,11,13).
What are the key properties of 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 134987217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).