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

C8H11N3O — CID 63253327

IUPAC2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3
InChIKeyVQKHNWPVBIRRNP-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.57
Rot. Bonds

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

2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253327) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253327
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3
InChIKeyVQKHNWPVBIRRNP-UHFFFAOYSA-N
XLogP-0.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253327) is 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is VQKHNWPVBIRRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 165.20 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).