4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride

C19H22ClN5O2 — CID 42632845

IUPAC4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
SMILESCOc1cc(-c2ccc(N3CCOCC3)nn2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C19H21N5O2.ClH/c1-14-12-24(13-20-14)17-5-3-15(11-18(17)25-2)16-4-6-19(22-21-16)23-7-9-26-10-8-23;/h3-6,11-13H,7-10H2,1-2H3;1H
InChIKeyBZHUTOLDXRSBMN-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.90
Rot. Bonds4

About 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride

4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride (PubChem CID 42632845) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
PubChem CID42632845
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
SMILESCOc1cc(-c2ccc(N3CCOCC3)nn2)ccc1-n1cnc(C)c1.Cl
InChIInChI=1S/C19H21N5O2.ClH/c1-14-12-24(13-20-14)17-5-3-15(11-18(17)25-2)16-4-6-19(22-21-16)23-7-9-26-10-8-23;/h3-6,11-13H,7-10H2,1-2H3;1H
InChIKeyBZHUTOLDXRSBMN-UHFFFAOYSA-N
XLogP2.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
CID 42632659
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
CID 42632668
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
CID 69028039
6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
CID 42632791
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
CID 42632822
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
1-(4-tert-butylphenyl)-4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidine
CID 59472447
azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
CID 158028310
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
1-[1-[bis(4-methylphenyl)methyl]pyrrolidin-3-yl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazole
CID 59472503

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride?
The IUPAC name of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride (CID 42632845) is 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride is COc1cc(-c2ccc(N3CCOCC3)nn2)ccc1-n1cnc(C)c1.Cl.
What is the InChIKey of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride?
The InChIKey is BZHUTOLDXRSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2.ClH/c1-14-12-24(13-20-14)17-5-3-15(11-18(17)25-2)16-4-6-19(22-21-16)23-7-9-26-10-8-23;/h3-6,11-13H,7-10H2,1-2H3;1H.
What are the key properties of 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride?
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 42632845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).