3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one

C12H18N4O2 — CID 114267658

IUPAC3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1(C)CN(C(=O)c2ccc(=O)[nH]n2)CCC1N
InChIInChI=1S/C12H18N4O2/c1-12(2)7-16(6-5-9(12)13)11(18)8-3-4-10(17)15-14-8/h3-4,9H,5-7,13H2,1-2H3,(H,15,17)
InChIKeyCSIRTFDITQRAQW-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.03
Rot. Bonds1

About 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 114267658) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID114267658
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1(C)CN(C(=O)c2ccc(=O)[nH]n2)CCC1N
InChIInChI=1S/C12H18N4O2/c1-12(2)7-16(6-5-9(12)13)11(18)8-3-4-10(17)15-14-8/h3-4,9H,5-7,13H2,1-2H3,(H,15,17)
InChIKeyCSIRTFDITQRAQW-UHFFFAOYSA-N
XLogP-0.03
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-bromo-2-pyridinyl)methanone
CID 120816364
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
CID 120820095
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 113229540
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 114267658) is 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one is CC1(C)CN(C(=O)c2ccc(=O)[nH]n2)CCC1N.
What is the InChIKey of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is CSIRTFDITQRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2)7-16(6-5-9(12)13)11(18)8-3-4-10(17)15-14-8/h3-4,9H,5-7,13H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 250.30 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 114267658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).