6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile

C14H19N5O2 — CID 133420091

IUPAC6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
SMILESCC(C)C(Nc1ccc(C#N)nn1)C(=O)N1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10(2)13(14(20)19-5-7-21-8-6-19)16-12-4-3-11(9-15)17-18-12/h3-4,10,13H,5-8H2,1-2H3,(H,16,18)
InChIKeyVCMJRUPOBBQZGY-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.64
Rot. Bonds4

About 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile

6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile (PubChem CID 133420091) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
PubChem CID133420091
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
SMILESCC(C)C(Nc1ccc(C#N)nn1)C(=O)N1CCOCC1
InChIInChI=1S/C14H19N5O2/c1-10(2)13(14(20)19-5-7-21-8-6-19)16-12-4-3-11(9-15)17-18-12/h3-4,10,13H,5-8H2,1-2H3,(H,16,18)
InChIKeyVCMJRUPOBBQZGY-UHFFFAOYSA-N
XLogP0.64
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile with MolForge

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Related Compounds

5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133369179
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
(2R)-2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97250136
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
2-methyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]pyridine-4-carbonitrile
CID 114766592
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-(4-acetyl-2-nitroanilino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133365689
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133369175
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile (CID 133420091) is 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile is CC(C)C(Nc1ccc(C#N)nn1)C(=O)N1CCOCC1.
What is the InChIKey of 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile?
The InChIKey is VCMJRUPOBBQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)13(14(20)19-5-7-21-8-6-19)16-12-4-3-11(9-15)17-18-12/h3-4,10,13H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile?
6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).