1,2,3,4-tetrahydroimidazo[4,5-b]azepine

C7H9N3 — CID 144849067

IUPAC1,2,3,4-tetrahydroimidazo[4,5-b]azepine
SMILESC1=CNC2=C(C=C1)NCN2
InChIInChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4,8-10H,5H2
InChIKeyYLODCQAKKQQWHP-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.02
Rot. Bonds

About 1,2,3,4-tetrahydroimidazo[4,5-b]azepine

1,2,3,4-tetrahydroimidazo[4,5-b]azepine (PubChem CID 144849067) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroimidazo[4,5-b]azepine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroimidazo[4,5-b]azepine
PubChem CID144849067
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,2,3,4-tetrahydroimidazo[4,5-b]azepine
SMILESC1=CNC2=C(C=C1)NCN2
InChIInChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4,8-10H,5H2
InChIKeyYLODCQAKKQQWHP-UHFFFAOYSA-N
XLogP-0.02
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroimidazo[4,5-b]azepine?
The IUPAC name of 1,2,3,4-tetrahydroimidazo[4,5-b]azepine (CID 144849067) is 1,2,3,4-tetrahydroimidazo[4,5-b]azepine.
What is the SMILES notation for 1,2,3,4-tetrahydroimidazo[4,5-b]azepine?
The canonical SMILES for 1,2,3,4-tetrahydroimidazo[4,5-b]azepine is C1=CNC2=C(C=C1)NCN2.
What is the InChIKey of 1,2,3,4-tetrahydroimidazo[4,5-b]azepine?
The InChIKey is YLODCQAKKQQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-4-8-7-6(3-1)9-5-10-7/h1-4,8-10H,5H2.
What are the key properties of 1,2,3,4-tetrahydroimidazo[4,5-b]azepine?
1,2,3,4-tetrahydroimidazo[4,5-b]azepine has a molecular weight of 135.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroimidazo[4,5-b]azepine is sourced from PubChem (CID 144849067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).