2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile

C10H12N4O2 — CID 114395655

IUPAC2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H12N4O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,2-6H2
InChIKeyNHFYECSHSKXOKX-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.40
Rot. Bonds2

About 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile

2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile (PubChem CID 114395655) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile
PubChem CID114395655
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C10H12N4O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,2-6H2
InChIKeyNHFYECSHSKXOKX-UHFFFAOYSA-N
XLogP-0.40
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
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
Trifluoro-[3-(4-morpholin-4-yl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746472
Trifluoro-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]boranuide
CID 114398753
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-(4-Morpholinyl)-3(2H)-pyridazinone
CID 12550771
2-(4-Morpholin-4-yl-6-oxopyridazin-1-yl)acetic acid
CID 12473882
Ethyl 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 12473884
4-Chloro-5-morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550768
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile (CID 114395655) is 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile is N#CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile?
The InChIKey is NHFYECSHSKXOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-1-2-14-10(15)7-9(8-12-14)13-3-5-16-6-4-13/h7-8H,2-6H2.
What are the key properties of 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile?
2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile has a molecular weight of 220.23 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetonitrile is sourced from PubChem (CID 114395655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).