5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile

C19H23N5O — CID 36724536

IUPAC5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2ccccc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H23N5O/c1-14-15(2)22-23-19(17(14)12-20)21-13-18(16-6-4-3-5-7-16)24-8-10-25-11-9-24/h3-7,18H,8-11,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyQWTNGLAETXHGGP-GOSISDBHSA-N
MW337.43 g/mol
LogP2.45
Rot. Bonds5

About 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile (PubChem CID 36724536) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
PubChem CID36724536
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC[C@H](c2ccccc2)N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C19H23N5O/c1-14-15(2)22-23-19(17(14)12-20)21-13-18(16-6-4-3-5-7-16)24-8-10-25-11-9-24/h3-7,18H,8-11,13H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyQWTNGLAETXHGGP-GOSISDBHSA-N
XLogP2.45
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
CID 31537587
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 56821491
4,6-dimethyl-2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridine-3-carbonitrile
CID 78871346
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
5-[(2-morpholin-4-yl-2-phenylethyl)amino]-2-propan-2-yl-1,3-oxazole-4-carbonitrile
CID 43842696
3-[[(S)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628003
3-[[(R)-cyclopropyl(phenyl)methyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36628007
3-[2-(2-methoxyphenoxy)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133324592
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile (CID 36724536) is 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile is Cc1nnc(NC[C@H](c2ccccc2)N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile?
The InChIKey is QWTNGLAETXHGGP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-15(2)22-23-19(17(14)12-20)21-13-18(16-6-4-3-5-7-16)24-8-10-25-11-9-24/h3-7,18H,8-11,13H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[(2S)-2-morpholin-4-yl-2-phenylethyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 36724536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).