2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine

C19H21N5O — CID 133379484

IUPAC2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
SMILESCc1ccn(-c2ccc(N3CCOC(C)(c4ccccc4)C3)nn2)n1
InChIInChI=1S/C19H21N5O/c1-15-10-11-24(22-15)18-9-8-17(20-21-18)23-12-13-25-19(2,14-23)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyTWQVNIMLUGLGJM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine

2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine (PubChem CID 133379484) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
PubChem CID133379484
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
SMILESCc1ccn(-c2ccc(N3CCOC(C)(c4ccccc4)C3)nn2)n1
InChIInChI=1S/C19H21N5O/c1-15-10-11-24(22-15)18-9-8-17(20-21-18)23-12-13-25-19(2,14-23)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
InChIKeyTWQVNIMLUGLGJM-UHFFFAOYSA-N
XLogP2.72
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 133410717
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167982921
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine?
The IUPAC name of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine (CID 133379484) is 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine.
What is the SMILES notation for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine?
The canonical SMILES for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine is Cc1ccn(-c2ccc(N3CCOC(C)(c4ccccc4)C3)nn2)n1.
What is the InChIKey of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine?
The InChIKey is TWQVNIMLUGLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-10-11-24(22-15)18-9-8-17(20-21-18)23-12-13-25-19(2,14-23)16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3.
What are the key properties of 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine?
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine has a molecular weight of 335.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine is sourced from PubChem (CID 133379484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).