4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline

C20H26N4O3 — CID 90456808

IUPAC4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
SMILESCc1ccc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C20H26N4O3/c1-14-2-3-15(21)12-17(14)18-13-19(24-6-10-26-11-7-24)20(23-22-18)27-16-4-8-25-9-5-16/h2-3,12-13,16H,4-11,21H2,1H3
InChIKeyFJFPSNLPQKQCBP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.43
Rot. Bonds4

About 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline

4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline (PubChem CID 90456808) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
PubChem CID90456808
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
SMILESCc1ccc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
InChIInChI=1S/C20H26N4O3/c1-14-2-3-15(21)12-17(14)18-13-19(24-6-10-26-11-7-24)20(23-22-18)27-16-4-8-25-9-5-16/h2-3,12-13,16H,4-11,21H2,1H3
InChIKeyFJFPSNLPQKQCBP-UHFFFAOYSA-N
XLogP2.43
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
CID 90456484
3-methyl-4-morpholin-4-ylaniline
CID 10607787
5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-amine
CID 90464912
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
1-[2-methyl-4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 83137989
2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
CID 154092983
5-methyl-2-morpholin-4-ylaniline
CID 18952141
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline?
The IUPAC name of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline (CID 90456808) is 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline.
What is the SMILES notation for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline?
The canonical SMILES for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline is Cc1ccc(N)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.
What is the InChIKey of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline?
The InChIKey is FJFPSNLPQKQCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-2-3-15(21)12-17(14)18-13-19(24-6-10-26-11-7-24)20(23-22-18)27-16-4-8-25-9-5-16/h2-3,12-13,16H,4-11,21H2,1H3.
What are the key properties of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline?
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline has a molecular weight of 370.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline is sourced from PubChem (CID 90456808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).