1,6-dihydroimidazo[4,5-d]azepine

C7H7N3 — CID 68514643

IUPAC1,6-dihydroimidazo[4,5-d]azepine
SMILESC1=Cc2nc[nH]c2C=CN1
InChIInChI=1S/C7H7N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5,8H,(H,9,10)
InChIKeyGLNIIYRLENHXHW-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.95
Rot. Bonds

About 1,6-dihydroimidazo[4,5-d]azepine

1,6-dihydroimidazo[4,5-d]azepine (PubChem CID 68514643) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1,6-dihydroimidazo[4,5-d]azepine.

Molecular Properties

Compound Name1,6-dihydroimidazo[4,5-d]azepine
PubChem CID68514643
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1,6-dihydroimidazo[4,5-d]azepine
SMILESC1=Cc2nc[nH]c2C=CN1
InChIInChI=1S/C7H7N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5,8H,(H,9,10)
InChIKeyGLNIIYRLENHXHW-UHFFFAOYSA-N
XLogP0.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroimidazo[4,5-d]azepine?
The IUPAC name of 1,6-dihydroimidazo[4,5-d]azepine (CID 68514643) is 1,6-dihydroimidazo[4,5-d]azepine.
What is the SMILES notation for 1,6-dihydroimidazo[4,5-d]azepine?
The canonical SMILES for 1,6-dihydroimidazo[4,5-d]azepine is C1=Cc2nc[nH]c2C=CN1.
What is the InChIKey of 1,6-dihydroimidazo[4,5-d]azepine?
The InChIKey is GLNIIYRLENHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5,8H,(H,9,10).
What are the key properties of 1,6-dihydroimidazo[4,5-d]azepine?
1,6-dihydroimidazo[4,5-d]azepine has a molecular weight of 133.15 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroimidazo[4,5-d]azepine is sourced from PubChem (CID 68514643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).