2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile

C14H20N4O2 — CID 114395657

IUPAC2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8H2,1-2H3
InChIKeyLDEDZCRMZWFQMQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds4

About 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile

2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile (PubChem CID 114395657) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
PubChem CID114395657
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile
SMILESCC(C)(C#N)CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8H2,1-2H3
InChIKeyLDEDZCRMZWFQMQ-UHFFFAOYSA-N
XLogP1.02
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
3,3,3-Trifluoro-2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368205
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
4-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 113579523
3-[4-[2-Methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]propanenitrile
CID 113579527
4-[4-[2-Methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]butanenitrile
CID 113579528
4-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 113579529
2-[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 113579535
2-(5-Amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393699
2-(4-Amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393702
2-(4-Amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393725

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile (CID 114395657) is 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile is CC(C)(C#N)CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
The InChIKey is LDEDZCRMZWFQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile?
2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile has a molecular weight of 276.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)butanenitrile is sourced from PubChem (CID 114395657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).