6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C20H24ClN5O2 — CID 11732150

IUPAC6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C20H24ClN5O2/c1-14-18-15(2)28-23-19(18)20(27)26(22-14)8-4-7-24-9-11-25(12-10-24)17-6-3-5-16(21)13-17/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyRZNMYLDSBOBPCJ-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.87
Rot. Bonds5

About 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 11732150) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID11732150
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2noc(C)c12
InChIInChI=1S/C20H24ClN5O2/c1-14-18-15(2)28-23-19(18)20(27)26(22-14)8-4-7-24-9-11-25(12-10-24)17-6-3-5-16(21)13-17/h3,5-6,13H,4,7-12H2,1-2H3
InChIKeyRZNMYLDSBOBPCJ-UHFFFAOYSA-N
XLogP2.87
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 11732150) is 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2noc(C)c12.
What is the InChIKey of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is RZNMYLDSBOBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-14-18-15(2)28-23-19(18)20(27)26(22-14)8-4-7-24-9-11-25(12-10-24)17-6-3-5-16(21)13-17/h3,5-6,13H,4,7-12H2,1-2H3.
What are the key properties of 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 401.90 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 11732150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).