(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine

C22H22N4 — CID 153394318

IUPAC(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine
SMILESCC/C=C(\C=N\C)c1cccc(-c2nc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4/c1-4-9-20(15-23-3)18-12-8-13-19(14-18)22-25-16(2)24-21(26-22)17-10-6-5-7-11-17/h5-15H,4H2,1-3H3/b20-9+,23-15+
InChIKeyQSRNRVCZXPAJPP-YMIUVCBXSA-N
MW342.45 g/mol
LogP5.01
Rot. Bonds5

About (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine

(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine (PubChem CID 153394318) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine
PubChem CID153394318
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine
SMILESCC/C=C(\C=N\C)c1cccc(-c2nc(C)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H22N4/c1-4-9-20(15-23-3)18-12-8-13-19(14-18)22-25-16(2)24-21(26-22)17-10-6-5-7-11-17/h5-15H,4H2,1-3H3/b20-9+,23-15+
InChIKeyQSRNRVCZXPAJPP-YMIUVCBXSA-N
XLogP5.01
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
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)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine (CID 153394318) is (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine is CC/C=C(\C=N\C)c1cccc(-c2nc(C)nc(-c3ccccc3)n2)c1.
What is the InChIKey of (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine?
The InChIKey is QSRNRVCZXPAJPP-YMIUVCBXSA-N. The full InChI is InChI=1S/C22H22N4/c1-4-9-20(15-23-3)18-12-8-13-19(14-18)22-25-16(2)24-21(26-22)17-10-6-5-7-11-17/h5-15H,4H2,1-3H3/b20-9+,23-15+.
What are the key properties of (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine?
(Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine has a molecular weight of 342.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pent-2-en-1-imine is sourced from PubChem (CID 153394318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).