ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine

C24H31N3 — CID 142897560

IUPACethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine
SMILESC=C/C=C(\C=C/C)C1=NNC(=C)C(C(=C)NCc2ccc(C)cc2)=C1.CC
InChIInChI=1S/C22H25N3.C2H6/c1-6-8-20(9-7-2)22-14-21(18(5)24-25-22)17(4)23-15-19-12-10-16(3)11-13-19;1-2/h6-14,23-24H,1,4-5,15H2,2-3H3;1-2H3/b9-7-,20-8+;
InChIKeyGCPZROFZXPONPX-SYAZIGPLSA-N
MW361.53 g/mol
LogP5.71
Rot. Bonds7

About ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine

ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine (PubChem CID 142897560) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine.

Molecular Properties

Compound Nameethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine
PubChem CID142897560
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Nameethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine
SMILESC=C/C=C(\C=C/C)C1=NNC(=C)C(C(=C)NCc2ccc(C)cc2)=C1.CC
InChIInChI=1S/C22H25N3.C2H6/c1-6-8-20(9-7-2)22-14-21(18(5)24-25-22)17(4)23-15-19-12-10-16(3)11-13-19;1-2/h6-14,23-24H,1,4-5,15H2,2-3H3;1-2H3/b9-7-,20-8+;
InChIKeyGCPZROFZXPONPX-SYAZIGPLSA-N
XLogP5.71
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine?
The IUPAC name of ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine (CID 142897560) is ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine.
What is the SMILES notation for ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine?
The canonical SMILES for ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine is C=C/C=C(\C=C/C)C1=NNC(=C)C(C(=C)NCc2ccc(C)cc2)=C1.CC.
What is the InChIKey of ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine?
The InChIKey is GCPZROFZXPONPX-SYAZIGPLSA-N. The full InChI is InChI=1S/C22H25N3.C2H6/c1-6-8-20(9-7-2)22-14-21(18(5)24-25-22)17(4)23-15-19-12-10-16(3)11-13-19;1-2/h6-14,23-24H,1,4-5,15H2,2-3H3;1-2H3/b9-7-,20-8+;.
What are the key properties of ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine?
ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine has a molecular weight of 361.53 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylidene-1H-pyridazin-5-yl]-N-[(4-methylphenyl)methyl]ethenamine is sourced from PubChem (CID 142897560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).