2,6,9-trimethyl-8H-pyrido[2,3-c]azepine

C12H14N2 — CID 131966673

IUPAC2,6,9-trimethyl-8H-pyrido[2,3-c]azepine
SMILESCC1=CNC(C)=c2nc(C)ccc2=C1
InChIInChI=1S/C12H14N2/c1-8-6-11-5-4-9(2)14-12(11)10(3)13-7-8/h4-7,13H,1-3H3
InChIKeyYGMJJIIYTBETDD-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.81
Rot. Bonds

About 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine

2,6,9-trimethyl-8H-pyrido[2,3-c]azepine (PubChem CID 131966673) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name2,6,9-trimethyl-8H-pyrido[2,3-c]azepine
PubChem CID131966673
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,6,9-trimethyl-8H-pyrido[2,3-c]azepine
SMILESCC1=CNC(C)=c2nc(C)ccc2=C1
InChIInChI=1S/C12H14N2/c1-8-6-11-5-4-9(2)14-12(11)10(3)13-7-8/h4-7,13H,1-3H3
InChIKeyYGMJJIIYTBETDD-UHFFFAOYSA-N
XLogP0.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine?
The IUPAC name of 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine (CID 131966673) is 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine.
What is the SMILES notation for 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine?
The canonical SMILES for 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine is CC1=CNC(C)=c2nc(C)ccc2=C1.
What is the InChIKey of 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine?
The InChIKey is YGMJJIIYTBETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-6-11-5-4-9(2)14-12(11)10(3)13-7-8/h4-7,13H,1-3H3.
What are the key properties of 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine?
2,6,9-trimethyl-8H-pyrido[2,3-c]azepine has a molecular weight of 186.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-trimethyl-8H-pyrido[2,3-c]azepine is sourced from PubChem (CID 131966673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).