(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine

C17H22N4 — CID 166864289

IUPAC(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C1=CN(C)/C(=C\C=C)C(C(/C=N/C)=C/C)=N1
InChIInChI=1S/C17H22N4/c1-6-9-16-17(14(8-3)11-19-4)20-15(12-21(16)5)13(7-2)10-18/h6-12,18H,1H2,2-5H3/b13-7+,14-8+,16-9-,18-10+,19-11+
InChIKeyVXWCPCZPMVJDHU-USSQRPQBSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds5

About (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine

(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine (PubChem CID 166864289) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine
PubChem CID166864289
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C1=CN(C)/C(=C\C=C)C(C(/C=N/C)=C/C)=N1
InChIInChI=1S/C17H22N4/c1-6-9-16-17(14(8-3)11-19-4)20-15(12-21(16)5)13(7-2)10-18/h6-12,18H,1H2,2-5H3/b13-7+,14-8+,16-9-,18-10+,19-11+
InChIKeyVXWCPCZPMVJDHU-USSQRPQBSA-N
XLogP3.53
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine (CID 166864289) is (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine is [H]/N=C/C(=C\C)C1=CN(C)/C(=C\C=C)C(C(/C=N/C)=C/C)=N1.
What is the InChIKey of (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine?
The InChIKey is VXWCPCZPMVJDHU-USSQRPQBSA-N. The full InChI is InChI=1S/C17H22N4/c1-6-9-16-17(14(8-3)11-19-4)20-15(12-21(16)5)13(7-2)10-18/h6-12,18H,1H2,2-5H3/b13-7+,14-8+,16-9-,18-10+,19-11+.
What are the key properties of (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine?
(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine is sourced from PubChem (CID 166864289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).