2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride

C17H32ClN5O — CID 120857935

IUPAC2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
SMILESCC(C)N(C)c1cnn(C2CCCN(CC(C)(C)N)C2)c(=O)c1.Cl
InChIInChI=1S/C17H31N5O.ClH/c1-13(2)20(5)15-9-16(23)22(19-10-15)14-7-6-8-21(11-14)12-17(3,4)18;/h9-10,13-14H,6-8,11-12,18H2,1-5H3;1H
InChIKeyJBTNDPUXEYZLGV-UHFFFAOYSA-N
MW357.93 g/mol
LogP1.88
Rot. Bonds5

About 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride

2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride (PubChem CID 120857935) has the molecular formula C17H32ClN5O and a molecular weight of 357.93 g/mol. Its IUPAC name is 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
PubChem CID120857935
Molecular FormulaC17H32ClN5O
Molecular Weight357.93 g/mol
Exact Mass357.23
IUPAC Name2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
SMILESCC(C)N(C)c1cnn(C2CCCN(CC(C)(C)N)C2)c(=O)c1.Cl
InChIInChI=1S/C17H31N5O.ClH/c1-13(2)20(5)15-9-16(23)22(19-10-15)14-7-6-8-21(11-14)12-17(3,4)18;/h9-10,13-14H,6-8,11-12,18H2,1-5H3;1H
InChIKeyJBTNDPUXEYZLGV-UHFFFAOYSA-N
XLogP1.88
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride with MolForge

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Related Compounds

2-[(3R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 129324233
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]pyridazin-3-one
CID 129323669
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881433
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881432
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325553
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323555
2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 128524139
6-[[2-[(3R)-3-[4-[methyl(propan-2-yl)amino]-6-oxopyridazin-1-yl]piperidin-1-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 129324157
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129324133
2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
CID 128971692
2-[1-(furan-2-ylmethyl)piperidin-3-yl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 128981232

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride?
The IUPAC name of 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride (CID 120857935) is 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride?
The canonical SMILES for 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride is CC(C)N(C)c1cnn(C2CCCN(CC(C)(C)N)C2)c(=O)c1.Cl.
What is the InChIKey of 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride?
The InChIKey is JBTNDPUXEYZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O.ClH/c1-13(2)20(5)15-9-16(23)22(19-10-15)14-7-6-8-21(11-14)12-17(3,4)18;/h9-10,13-14H,6-8,11-12,18H2,1-5H3;1H.
What are the key properties of 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride?
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride has a molecular weight of 357.93 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride is sourced from PubChem (CID 120857935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).