4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one

C8H11N3O — CID 23464669

IUPAC4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c1-5-6-4-9-3-2-7(6)10-11-8(5)12/h9H,2-4H2,1H3,(H,11,12)
InChIKeyQNGFZNVECWWZIK-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.28
Rot. Bonds

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

4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 23464669) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
PubChem CID23464669
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
SMILESCc1c2c(n[nH]c1=O)CCNC2
InChIInChI=1S/C8H11N3O/c1-5-6-4-9-3-2-7(6)10-11-8(5)12/h9H,2-4H2,1H3,(H,11,12)
InChIKeyQNGFZNVECWWZIK-UHFFFAOYSA-N
XLogP-0.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one (CID 23464669) is 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one is Cc1c2c(n[nH]c1=O)CCNC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is QNGFZNVECWWZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-6-4-9-3-2-7(6)10-11-8(5)12/h9H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 165.20 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 23464669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).