2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine

C14H16N2 — CID 166691198

IUPAC2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine
SMILESC=CC1=NC(C=C)=C(C=C)NC(C)=C1C=C
InChIInChI=1S/C14H16N2/c1-6-11-10(5)15-13(8-3)14(9-4)16-12(11)7-2/h6-9,15H,1-4H2,5H3
InChIKeyIJIAPXCNMJEEOE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.26
Rot. Bonds4

About 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine

2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine (PubChem CID 166691198) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine.

Molecular Properties

Compound Name2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine
PubChem CID166691198
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine
SMILESC=CC1=NC(C=C)=C(C=C)NC(C)=C1C=C
InChIInChI=1S/C14H16N2/c1-6-11-10(5)15-13(8-3)14(9-4)16-12(11)7-2/h6-9,15H,1-4H2,5H3
InChIKeyIJIAPXCNMJEEOE-UHFFFAOYSA-N
XLogP3.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine?
The IUPAC name of 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine (CID 166691198) is 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine.
What is the SMILES notation for 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine?
The canonical SMILES for 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine is C=CC1=NC(C=C)=C(C=C)NC(C)=C1C=C.
What is the InChIKey of 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine?
The InChIKey is IJIAPXCNMJEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-6-11-10(5)15-13(8-3)14(9-4)16-12(11)7-2/h6-9,15H,1-4H2,5H3.
What are the key properties of 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine?
2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine has a molecular weight of 212.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(ethenyl)-7-methyl-1H-1,4-diazepine is sourced from PubChem (CID 166691198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).