6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine

C17H16N6O — CID 171149152

IUPAC6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESC=CCOc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C17H16N6O/c1-2-11-24-15-5-3-14(4-6-15)12-19-20-16-7-8-17(22-21-16)23-10-9-18-13-23/h2-10,12-13H,1,11H2,(H,20,21)
InChIKeyZGNHPCKGZHXAOV-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.67
Rot. Bonds7

About 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine

6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine (PubChem CID 171149152) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine
PubChem CID171149152
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine
SMILESC=CCOc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C17H16N6O/c1-2-11-24-15-5-3-14(4-6-15)12-19-20-16-7-8-17(22-21-16)23-10-9-18-13-23/h2-10,12-13H,1,11H2,(H,20,21)
InChIKeyZGNHPCKGZHXAOV-UHFFFAOYSA-N
XLogP2.67
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
(6-imidazol-1-ylpyridazin-3-yl)hydrazine;dihydrochloride
CID 3031322
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6301261
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035
N',N'-diethyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6378231
2-hydroxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5333365
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
2-ethyl-5-[(2E)-2-[(4-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 44615473
6-imidazol-1-yl-2-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 11494065
1-(4-hex-5-enoxyphenyl)imidazole
CID 86214589

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine (CID 171149152) is 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine is C=CCOc1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine?
The InChIKey is ZGNHPCKGZHXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-11-24-15-5-3-14(4-6-15)12-19-20-16-7-8-17(22-21-16)23-10-9-18-13-23/h2-10,12-13H,1,11H2,(H,20,21).
What are the key properties of 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine?
6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine has a molecular weight of 320.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(4-prop-2-enoxyphenyl)methylideneamino]pyridazin-3-amine is sourced from PubChem (CID 171149152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).