4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile

C10H9ClN4O2 — CID 79674643

IUPAC4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(Cl)nn2)CCO1
InChIInChI=1S/C10H9ClN4O2/c11-9-2-1-8(13-14-9)10(16)15-3-4-17-7(5-12)6-15/h1-2,7H,3-4,6H2
InChIKeyNBZSCAYOQIYLSB-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.49
Rot. Bonds1

About 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile

4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 79674643) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
PubChem CID79674643
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(Cl)nn2)CCO1
InChIInChI=1S/C10H9ClN4O2/c11-9-2-1-8(13-14-9)10(16)15-3-4-17-7(5-12)6-15/h1-2,7H,3-4,6H2
InChIKeyNBZSCAYOQIYLSB-UHFFFAOYSA-N
XLogP0.49
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 104641747
4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 115616275
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
4-(2H-triazole-4-carbonyl)morpholine-2-carbonitrile
CID 78945733
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile (CID 79674643) is 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc(Cl)nn2)CCO1.
What is the InChIKey of 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is NBZSCAYOQIYLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-9-2-1-8(13-14-9)10(16)15-3-4-17-7(5-12)6-15/h1-2,7H,3-4,6H2.
What are the key properties of 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile?
4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 252.66 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazine-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).