diazinan-1-yl(pyridazin-4-yl)methanone

C9H12N4O — CID 130847138

IUPACdiazinan-1-yl(pyridazin-4-yl)methanone
SMILESO=C(c1ccnnc1)N1CCCCN1
InChIInChI=1S/C9H12N4O/c14-9(8-3-5-10-11-7-8)13-6-2-1-4-12-13/h3,5,7,12H,1-2,4,6H2
InChIKeyCHMKVRDHEBKTIL-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.22
Rot. Bonds1

About diazinan-1-yl(pyridazin-4-yl)methanone

diazinan-1-yl(pyridazin-4-yl)methanone (PubChem CID 130847138) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is diazinan-1-yl(pyridazin-4-yl)methanone.

Molecular Properties

Compound Namediazinan-1-yl(pyridazin-4-yl)methanone
PubChem CID130847138
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Namediazinan-1-yl(pyridazin-4-yl)methanone
SMILESO=C(c1ccnnc1)N1CCCCN1
InChIInChI=1S/C9H12N4O/c14-9(8-3-5-10-11-7-8)13-6-2-1-4-12-13/h3,5,7,12H,1-2,4,6H2
InChIKeyCHMKVRDHEBKTIL-UHFFFAOYSA-N
XLogP0.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diazinan-1-yl(pyridazin-4-yl)methanone?
The IUPAC name of diazinan-1-yl(pyridazin-4-yl)methanone (CID 130847138) is diazinan-1-yl(pyridazin-4-yl)methanone.
What is the SMILES notation for diazinan-1-yl(pyridazin-4-yl)methanone?
The canonical SMILES for diazinan-1-yl(pyridazin-4-yl)methanone is O=C(c1ccnnc1)N1CCCCN1.
What is the InChIKey of diazinan-1-yl(pyridazin-4-yl)methanone?
The InChIKey is CHMKVRDHEBKTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(8-3-5-10-11-7-8)13-6-2-1-4-12-13/h3,5,7,12H,1-2,4,6H2.
What are the key properties of diazinan-1-yl(pyridazin-4-yl)methanone?
diazinan-1-yl(pyridazin-4-yl)methanone has a molecular weight of 192.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-yl(pyridazin-4-yl)methanone is sourced from PubChem (CID 130847138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).