3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one

C16H20N4O3 — CID 167826254

IUPAC3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC3(CCN(C(=O)C4CC4)C3)C2)n[nH]1
InChIInChI=1S/C16H20N4O3/c1-10-6-12(21)13(18-17-10)15(23)20-8-16(9-20)4-5-19(7-16)14(22)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyZBXPDSZTRPYFAC-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.16
Rot. Bonds2

About 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one

3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one (PubChem CID 167826254) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
PubChem CID167826254
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC3(CCN(C(=O)C4CC4)C3)C2)n[nH]1
InChIInChI=1S/C16H20N4O3/c1-10-6-12(21)13(18-17-10)15(23)20-8-16(9-20)4-5-19(7-16)14(22)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyZBXPDSZTRPYFAC-UHFFFAOYSA-N
XLogP0.16
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one with MolForge

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Related Compounds

3-[(3aS,6aR)-2-(3-oxocyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1H-pyridazin-4-one
CID 167916355
2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70714171
2-cyclopropyl-N-[(1S,5R)-3-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 167979496
N-[[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-3-yl]methyl]cyclobutanecarboxamide
CID 155963766
(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 128500529
6-methyl-3-[4-(pyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-4-one
CID 167843423
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
CID 166337363
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110328587
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251

Frequently Asked Questions

What is the IUPAC name of 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one?
The IUPAC name of 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one (CID 167826254) is 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one.
What is the SMILES notation for 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one?
The canonical SMILES for 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CC3(CCN(C(=O)C4CC4)C3)C2)n[nH]1.
What is the InChIKey of 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one?
The InChIKey is ZBXPDSZTRPYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-6-12(21)13(18-17-10)15(23)20-8-16(9-20)4-5-19(7-16)14(22)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,21).
What are the key properties of 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one?
3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one has a molecular weight of 316.36 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one is sourced from PubChem (CID 167826254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).