N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride

C24H26ClN5O — CID 42632822

IUPACN-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
SMILESCCc1cccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2)c1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-4-18-6-5-7-19(12-18)14-25-24-11-9-21(27-28-24)20-8-10-22(23(13-20)30-3)29-15-17(2)26-16-29;/h5-13,15-16H,4,14H2,1-3H3,(H,25,28);1H
InChIKeySJIXVKKIZWKXMI-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.24
Rot. Bonds7

About N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride

N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride (PubChem CID 42632822) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
PubChem CID42632822
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC NameN-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride
SMILESCCc1cccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2)c1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-4-18-6-5-7-19(12-18)14-25-24-11-9-21(27-28-24)20-8-10-22(23(13-20)30-3)29-15-17(2)26-16-29;/h5-13,15-16H,4,14H2,1-3H3,(H,25,28);1H
InChIKeySJIXVKKIZWKXMI-UHFFFAOYSA-N
XLogP5.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-[(3-morpholin-4-ylphenyl)methyl]pyridazin-3-amine
CID 42632791
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]morpholine;hydrochloride
CID 42632845
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-(2-methylpyrrolidin-1-yl)pyridazine;hydrochloride
CID 69028039
[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391164
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-3-phenylmorpholine
CID 42632668
4-[6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-yl]-2-phenylmorpholine
CID 42632659
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
N-benzyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-amine
CID 19385488
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
6-methoxy-4-N-(2-methoxyethyl)-2-N-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 91419407

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride?
The IUPAC name of N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride (CID 42632822) is N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride is CCc1cccc(CNc2ccc(-c3ccc(-n4cnc(C)c4)c(OC)c3)nn2)c1.Cl.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride?
The InChIKey is SJIXVKKIZWKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.ClH/c1-4-18-6-5-7-19(12-18)14-25-24-11-9-21(27-28-24)20-8-10-22(23(13-20)30-3)29-15-17(2)26-16-29;/h5-13,15-16H,4,14H2,1-3H3,(H,25,28);1H.
What are the key properties of N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride?
N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 42632822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).