6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C11H13N3O2 — CID 112708591

IUPAC6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=C(C1CC1)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C11H13N3O2/c15-10-5-8-6-14(11(16)7-1-2-7)4-3-9(8)12-13-10/h5,7H,1-4,6H2,(H,13,15)
InChIKeyCIBADIJDZPYQIU-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.06
Rot. Bonds1

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

6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 112708591) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID112708591
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=C(C1CC1)N1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C11H13N3O2/c15-10-5-8-6-14(11(16)7-1-2-7)4-3-9(8)12-13-10/h5,7H,1-4,6H2,(H,13,15)
InChIKeyCIBADIJDZPYQIU-UHFFFAOYSA-N
XLogP0.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 102567441
cyclopropyl(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)methanone
CID 130935368
6-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 139007401
6-[(2R)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 99786140
6-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 86798164
3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 102567437
6-cyclooct-2-en-1-yl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 131955905
6-[4-[2-(aminomethyl)phenyl]benzoyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 166363277
3-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
CID 166224021
7-(1,1-dihydroxythiane-4-carbonyl)-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 174213118
(3-methoxy-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 167900672
5-(3-bromo-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)piperidin-2-one
CID 163356528

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 112708591) is 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=C(C1CC1)N1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is CIBADIJDZPYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-5-8-6-14(11(16)7-1-2-7)4-3-9(8)12-13-10/h5,7H,1-4,6H2,(H,13,15).
What are the key properties of 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 219.24 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 112708591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).