4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine

C13H17N5O — CID 3099054

IUPAC4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-9-11(2)18(16-10)13-4-3-12(14-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyGVLONADNZUMIGN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.12
Rot. Bonds2

About 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine

4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine (PubChem CID 3099054) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine
PubChem CID3099054
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine
SMILESCc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1
InChIInChI=1S/C13H17N5O/c1-10-9-11(2)18(16-10)13-4-3-12(14-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3
InChIKeyGVLONADNZUMIGN-UHFFFAOYSA-N
XLogP1.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine (CID 3099054) is 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine is Cc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1.
What is the InChIKey of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine?
The InChIKey is GVLONADNZUMIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-9-11(2)18(16-10)13-4-3-12(14-15-13)17-5-7-19-8-6-17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine?
4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 3099054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).