2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one

C8H9N3O — CID 155921266

IUPAC2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN=CC2
InChIInChI=1S/C8H9N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h3-4H,2,5H2,1H3
InChIKeyPHQPTPIYRVXXHX-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.09
Rot. Bonds

About 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one

2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one (PubChem CID 155921266) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one
PubChem CID155921266
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN=CC2
InChIInChI=1S/C8H9N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h3-4H,2,5H2,1H3
InChIKeyPHQPTPIYRVXXHX-UHFFFAOYSA-N
XLogP-0.09
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-6-ethyl-2-methylpyridazin-3-one
CID 84108202
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3(2H)-one
CID 121199716
7-Amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 162782731
2,4-Dimethyl-5,8-dihydrophthalazin-1-one
CID 163863343
5-Ethyl-2,6-dimethylpyridazin-3-one
CID 172614406
5-(Aminomethyl)-2-methyl-6-propylpyridazin-3-one
CID 84110347
(6R)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129494084
(6S)-6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 129494086
2-Methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 130652659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one (CID 155921266) is 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN=CC2.
What is the InChIKey of 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is PHQPTPIYRVXXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h3-4H,2,5H2,1H3.
What are the key properties of 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one?
2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 163.18 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,8-dihydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 155921266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).