8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one

C16H23N5O — CID 145029315

IUPAC8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
SMILESCN(C)[C@H]1CCCCC1Nc1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C16H23N5O/c1-20(2)13-9-5-4-8-12(13)18-15-14-11(7-6-10-17-14)16(22)21(3)19-15/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,18,19)/t12?,13-/m0/s1
InChIKeyVKNNVNWETCTNHL-ABLWVSNPSA-N
MW301.39 g/mol
LogP1.61
Rot. Bonds3

About 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one

8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one (PubChem CID 145029315) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
PubChem CID145029315
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
SMILESCN(C)[C@H]1CCCCC1Nc1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C16H23N5O/c1-20(2)13-9-5-4-8-12(13)18-15-14-11(7-6-10-17-14)16(22)21(3)19-15/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,18,19)/t12?,13-/m0/s1
InChIKeyVKNNVNWETCTNHL-ABLWVSNPSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one with MolForge

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Related Compounds

6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029081
benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
CID 145029065
buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
8-[[(1S,2S)-1-(dimethylamino)-1-(4-propanoylphenyl)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029213
2-methyl-4-[(1-methylpyrrolidin-3-yl)amino]phthalazin-1-one
CID 118928691
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730
benzyl 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]benzoate
CID 118928612
8-hydroxy-6-methyl-1,6-naphthyridin-5-one
CID 59256580
6-(cyclopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410478
2-[8-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyridazin-5-yl]-3,5-dimethylphenol
CID 170258878
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988

Frequently Asked Questions

What is the IUPAC name of 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one (CID 145029315) is 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one is CN(C)[C@H]1CCCCC1Nc1nn(C)c(=O)c2cccnc12.
What is the InChIKey of 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is VKNNVNWETCTNHL-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H23N5O/c1-20(2)13-9-5-4-8-12(13)18-15-14-11(7-6-10-17-14)16(22)21(3)19-15/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,18,19)/t12?,13-/m0/s1.
What are the key properties of 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one?
8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 301.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 145029315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).