5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione

C8H7N3O2 — CID 155363483

IUPAC5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione
SMILESCc1n[nH]c(=O)c2[nH]ccc(=O)c12
InChIInChI=1S/C8H7N3O2/c1-4-6-5(12)2-3-9-7(6)8(13)11-10-4/h2-3H,1H3,(H,9,12)(H,11,13)
InChIKeyBOMXPWIFLWRSBZ-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.08
Rot. Bonds

About 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione

5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione (PubChem CID 155363483) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione.

Molecular Properties

Compound Name5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione
PubChem CID155363483
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione
SMILESCc1n[nH]c(=O)c2[nH]ccc(=O)c12
InChIInChI=1S/C8H7N3O2/c1-4-6-5(12)2-3-9-7(6)8(13)11-10-4/h2-3H,1H3,(H,9,12)(H,11,13)
InChIKeyBOMXPWIFLWRSBZ-UHFFFAOYSA-N
XLogP-0.08
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135772535
4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one
CID 134914734
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
7-chloro-4-methyl-2,6-dihydropyrrolo[3,4-d]pyridazin-1-one
CID 171521616
4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one
CID 174272394
2-methyl-1,4-dihydroimidazo[4,5-b]pyridin-7-one
CID 58931349
3-methyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 130251567
6-bromo-7-methyl-1H-1,8-naphthyridin-4-one
CID 19374329
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
8-amino-5-chloro-1H-quinolin-4-one
CID 155815463
2-tert-butyl-4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 147039934
1,4-dihydropyrazino[2,3-f][1,10]phenanthroline-5,12-dione
CID 136739967

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione?
The IUPAC name of 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione (CID 155363483) is 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione.
What is the SMILES notation for 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione?
The canonical SMILES for 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione is Cc1n[nH]c(=O)c2[nH]ccc(=O)c12.
What is the InChIKey of 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione?
The InChIKey is BOMXPWIFLWRSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-6-5(12)2-3-9-7(6)8(13)11-10-4/h2-3H,1H3,(H,9,12)(H,11,13).
What are the key properties of 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione?
5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione has a molecular weight of 177.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,7-dihydropyrido[2,3-d]pyridazine-4,8-dione is sourced from PubChem (CID 155363483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).