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

C9H13N3O — CID 62783851

IUPAC6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCN1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C9H13N3O/c1-2-12-4-3-8-7(6-12)5-9(13)11-10-8/h5H,2-4,6H2,1H3,(H,11,13)
InChIKeyQFYSTSBDLDNBGW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds1

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

6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 62783851) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID62783851
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCCN1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C9H13N3O/c1-2-12-4-3-8-7(6-12)5-9(13)11-10-8/h5H,2-4,6H2,1H3,(H,11,13)
InChIKeyQFYSTSBDLDNBGW-UHFFFAOYSA-N
XLogP0.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 62783851) is 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is CCN1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is QFYSTSBDLDNBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-4-3-8-7(6-12)5-9(13)11-10-8/h5H,2-4,6H2,1H3,(H,11,13).
What are the key properties of 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 62783851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).