5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile

C18H21N5O — CID 56821491

IUPAC5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)21-22-18(16(13)11-19)20-12-15-5-3-4-6-17(15)23-7-9-24-10-8-23/h3-6H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyQZSIOTRXONQZOI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.41
Rot. Bonds4

About 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 56821491) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
PubChem CID56821491
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1C
InChIInChI=1S/C18H21N5O/c1-13-14(2)21-22-18(16(13)11-19)20-12-15-5-3-4-6-17(15)23-7-9-24-10-8-23/h3-6H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyQZSIOTRXONQZOI-UHFFFAOYSA-N
XLogP2.41
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
5,6-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazine-4-carbonitrile
CID 36617158
6-[(2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 56821492
5,6-dimethyl-3-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]pyridazine-4-carbonitrile
CID 31537587
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211
3-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 52508439
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
2-chloro-4-[(2-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133299332
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 56815452
3-[(4-chlorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535199
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile (CID 56821491) is 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile is Cc1nnc(NCc2ccccc2N2CCOCC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is QZSIOTRXONQZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-14(2)21-22-18(16(13)11-19)20-12-15-5-3-4-6-17(15)23-7-9-24-10-8-23/h3-6H,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 56821491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).