5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile

C9H10N4O2 — CID 146553770

IUPAC5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)c(=O)[nH]n1
InChIInChI=1S/C9H10N4O2/c10-6-7-5-8(9(14)12-11-7)13-1-3-15-4-2-13/h5H,1-4H2,(H,12,14)
InChIKeyFMAZGWBCZLZRIW-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.52
Rot. Bonds1

About 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile

5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile (PubChem CID 146553770) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile
PubChem CID146553770
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile
SMILESN#Cc1cc(N2CCOCC2)c(=O)[nH]n1
InChIInChI=1S/C9H10N4O2/c10-6-7-5-8(9(14)12-11-7)13-1-3-15-4-2-13/h5H,1-4H2,(H,12,14)
InChIKeyFMAZGWBCZLZRIW-UHFFFAOYSA-N
XLogP-0.52
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile?
The IUPAC name of 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile (CID 146553770) is 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile.
What is the SMILES notation for 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile?
The canonical SMILES for 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile is N#Cc1cc(N2CCOCC2)c(=O)[nH]n1.
What is the InChIKey of 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile?
The InChIKey is FMAZGWBCZLZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-6-7-5-8(9(14)12-11-7)13-1-3-15-4-2-13/h5H,1-4H2,(H,12,14).
What are the key properties of 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile?
5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile is sourced from PubChem (CID 146553770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).