benzene;morpholine;pyridazine

C14H19N3O — CID 175576330

IUPACbenzene;morpholine;pyridazine
SMILESC1COCCN1.c1ccccc1.c1ccnnc1
InChIInChI=1S/C6H6.C4H4N2.C4H9NO/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h1-6H;1-4H;5H,1-4H2
InChIKeyXPFNNJMBDDXODM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds

About benzene;morpholine;pyridazine

benzene;morpholine;pyridazine (PubChem CID 175576330) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is benzene;morpholine;pyridazine.

Molecular Properties

Compound Namebenzene;morpholine;pyridazine
PubChem CID175576330
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namebenzene;morpholine;pyridazine
SMILESC1COCCN1.c1ccccc1.c1ccnnc1
InChIInChI=1S/C6H6.C4H4N2.C4H9NO/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h1-6H;1-4H;5H,1-4H2
InChIKeyXPFNNJMBDDXODM-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;morpholine;pyridazine?
The IUPAC name of benzene;morpholine;pyridazine (CID 175576330) is benzene;morpholine;pyridazine.
What is the SMILES notation for benzene;morpholine;pyridazine?
The canonical SMILES for benzene;morpholine;pyridazine is C1COCCN1.c1ccccc1.c1ccnnc1.
What is the InChIKey of benzene;morpholine;pyridazine?
The InChIKey is XPFNNJMBDDXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H4N2.C4H9NO/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h1-6H;1-4H;5H,1-4H2.
What are the key properties of benzene;morpholine;pyridazine?
benzene;morpholine;pyridazine has a molecular weight of 245.33 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;morpholine;pyridazine is sourced from PubChem (CID 175576330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).