4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine

C17H18ClN5O — CID 848993

IUPAC4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine
SMILESCc1nnc(N2CCOCC2)c2nn(-c3cccc(Cl)c3)c(C)c12
InChIInChI=1S/C17H18ClN5O/c1-11-15-12(2)23(14-5-3-4-13(18)10-14)21-16(15)17(20-19-11)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3
InChIKeyDEQYZHCKVATCCF-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.92
Rot. Bonds2

About 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine

4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine (PubChem CID 848993) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine
PubChem CID848993
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine
SMILESCc1nnc(N2CCOCC2)c2nn(-c3cccc(Cl)c3)c(C)c12
InChIInChI=1S/C17H18ClN5O/c1-11-15-12(2)23(14-5-3-4-13(18)10-14)21-16(15)17(20-19-11)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3
InChIKeyDEQYZHCKVATCCF-UHFFFAOYSA-N
XLogP2.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine?
The IUPAC name of 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine (CID 848993) is 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine is Cc1nnc(N2CCOCC2)c2nn(-c3cccc(Cl)c3)c(C)c12.
What is the InChIKey of 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine?
The InChIKey is DEQYZHCKVATCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-15-12(2)23(14-5-3-4-13(18)10-14)21-16(15)17(20-19-11)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine?
4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]morpholine is sourced from PubChem (CID 848993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).