6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C18H26N4O2 — CID 120991419

IUPAC6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(C(=O)C1CC3CCCC(C1)C3N)CC2
InChIInChI=1S/C18H26N4O2/c1-21-16(23)9-14-10-22(6-5-15(14)20-21)18(24)13-7-11-3-2-4-12(8-13)17(11)19/h9,11-13,17H,2-8,10,19H2,1H3
InChIKeyZMOAQCQVCZLBSI-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.82
Rot. Bonds1

About 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 120991419) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID120991419
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(C(=O)C1CC3CCCC(C1)C3N)CC2
InChIInChI=1S/C18H26N4O2/c1-21-16(23)9-14-10-22(6-5-15(14)20-21)18(24)13-7-11-3-2-4-12(8-13)17(11)19/h9,11-13,17H,2-8,10,19H2,1H3
InChIKeyZMOAQCQVCZLBSI-UHFFFAOYSA-N
XLogP0.82
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166355177
(9-amino-3-bicyclo[3.3.1]nonanyl)-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120990503
6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 119809806
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166309090
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 120993835
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
2-methyl-6-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 124504824
1-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 120989169
6-(cyclopropanecarbonyl)-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 112708591
9-amino-N-(2,5-dimethylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985577
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716

Frequently Asked Questions

What is the IUPAC name of 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 120991419) is 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(C(=O)C1CC3CCCC(C1)C3N)CC2.
What is the InChIKey of 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is ZMOAQCQVCZLBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-16(23)9-14-10-22(6-5-15(14)20-21)18(24)13-7-11-3-2-4-12(8-13)17(11)19/h9,11-13,17H,2-8,10,19H2,1H3.
What are the key properties of 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 330.43 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 120991419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).