4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine

C17H19N5O — CID 848992

IUPAC4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
SMILESCc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C17H19N5O/c1-12-15-13(2)22(14-6-4-3-5-7-14)20-16(15)17(19-18-12)21-8-10-23-11-9-21/h3-7H,8-11H2,1-2H3
InChIKeyDTOKHTZUKCZDIQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds2

About 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine

4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine (PubChem CID 848992) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
PubChem CID848992
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
SMILESCc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C17H19N5O/c1-12-15-13(2)22(14-6-4-3-5-7-14)20-16(15)17(19-18-12)21-8-10-23-11-9-21/h3-7H,8-11H2,1-2H3
InChIKeyDTOKHTZUKCZDIQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine?
The IUPAC name of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine (CID 848992) is 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine.
What is the SMILES notation for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine?
The canonical SMILES for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine is Cc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine?
The InChIKey is DTOKHTZUKCZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-15-13(2)22(14-6-4-3-5-7-14)20-16(15)17(19-18-12)21-8-10-23-11-9-21/h3-7H,8-11H2,1-2H3.
What are the key properties of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine?
4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine has a molecular weight of 309.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine is sourced from PubChem (CID 848992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).