4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine

C18H25N5O2 — CID 174206075

IUPAC4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine
SMILESC=C(OCC)c1nnc(N2CCOCC2C)cc1-c1ccnn1CC
InChIInChI=1S/C18H25N5O2/c1-5-23-16(7-8-19-23)15-11-17(22-9-10-24-12-13(22)3)20-21-18(15)14(4)25-6-2/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyKHEYOJXURGALQH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds6

About 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine

4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine (PubChem CID 174206075) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine
PubChem CID174206075
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine
SMILESC=C(OCC)c1nnc(N2CCOCC2C)cc1-c1ccnn1CC
InChIInChI=1S/C18H25N5O2/c1-5-23-16(7-8-19-23)15-11-17(22-9-10-24-12-13(22)3)20-21-18(15)14(4)25-6-2/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyKHEYOJXURGALQH-UHFFFAOYSA-N
XLogP2.59
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
N-[1-[4-(2-ethylpyrazol-3-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 169096546
N-[1-[4-(2-ethylpyrazol-3-yl)-6-(3-methylmorpholin-4-yl)pyridazin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 174210593
(3R)-4-[4-(2-ethylpyrazol-3-yl)-5-methyl-7-(1H-pyrazol-5-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169096561
3-methyl-4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(2-propylpyrazol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446428
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
(3R)-4-[7-(3-ethyltriazol-4-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 175910822
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine?
The IUPAC name of 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine (CID 174206075) is 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine?
The canonical SMILES for 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine is C=C(OCC)c1nnc(N2CCOCC2C)cc1-c1ccnn1CC.
What is the InChIKey of 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine?
The InChIKey is KHEYOJXURGALQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-23-16(7-8-19-23)15-11-17(22-9-10-24-12-13(22)3)20-21-18(15)14(4)25-6-2/h7-8,11,13H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine?
4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine has a molecular weight of 343.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-ethoxyethenyl)-5-(2-ethylpyrazol-3-yl)pyridazin-3-yl]-3-methylmorpholine is sourced from PubChem (CID 174206075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).