5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one

C13H22N4O — CID 99965036

IUPAC5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCNC2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-10(2)16(3)12-7-13(18)17(15-9-12)11-5-4-6-14-8-11/h7,9-11,14H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyLTIUITKHXCPNRI-NSHDSACASA-N
MW250.35 g/mol
LogP1.01
Rot. Bonds3

About 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one

5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one (PubChem CID 99965036) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
PubChem CID99965036
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCNC2)c(=O)c1
InChIInChI=1S/C13H22N4O/c1-10(2)16(3)12-7-13(18)17(15-9-12)11-5-4-6-14-8-11/h7,9-11,14H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyLTIUITKHXCPNRI-NSHDSACASA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 121476448
4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 115611029
(S)-4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 121472643
US10239861, Example 32
CID 121472626
US10239861, Example 25
CID 121472657
US10239861, Example 29
CID 121476427
US10239861, Example 26
CID 121476428
US10239861, Example 28
CID 121476429
US10239861, Example 27
CID 121476431
3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one (CID 99965036) is 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one is CC(C)N(C)c1cnn([C@H]2CCCNC2)c(=O)c1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
The InChIKey is LTIUITKHXCPNRI-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)16(3)12-7-13(18)17(15-9-12)11-5-4-6-14-8-11/h7,9-11,14H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one?
5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]-2-[(3S)-piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 99965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).