3,7-dihydroimidazo[4,5-e][1,3]diazepine

C6H6N4 — CID 57495515

IUPAC3,7-dihydroimidazo[4,5-e][1,3]diazepine
SMILESC1=NC=c2[nH]cnc2=CN1
InChIInChI=1S/C6H6N4/c1-5-6(10-4-9-5)2-8-3-7-1/h1-4H,(H,7,8)(H,9,10)
InChIKeyXPRKEORUWFNHKS-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.48
Rot. Bonds

About 3,7-dihydroimidazo[4,5-e][1,3]diazepine

3,7-dihydroimidazo[4,5-e][1,3]diazepine (PubChem CID 57495515) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3,7-dihydroimidazo[4,5-e][1,3]diazepine.

Molecular Properties

Compound Name3,7-dihydroimidazo[4,5-e][1,3]diazepine
PubChem CID57495515
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name3,7-dihydroimidazo[4,5-e][1,3]diazepine
SMILESC1=NC=c2[nH]cnc2=CN1
InChIInChI=1S/C6H6N4/c1-5-6(10-4-9-5)2-8-3-7-1/h1-4H,(H,7,8)(H,9,10)
InChIKeyXPRKEORUWFNHKS-UHFFFAOYSA-N
XLogP-1.48
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroimidazo[4,5-e][1,3]diazepine?
The IUPAC name of 3,7-dihydroimidazo[4,5-e][1,3]diazepine (CID 57495515) is 3,7-dihydroimidazo[4,5-e][1,3]diazepine.
What is the SMILES notation for 3,7-dihydroimidazo[4,5-e][1,3]diazepine?
The canonical SMILES for 3,7-dihydroimidazo[4,5-e][1,3]diazepine is C1=NC=c2[nH]cnc2=CN1.
What is the InChIKey of 3,7-dihydroimidazo[4,5-e][1,3]diazepine?
The InChIKey is XPRKEORUWFNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-6(10-4-9-5)2-8-3-7-1/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 3,7-dihydroimidazo[4,5-e][1,3]diazepine?
3,7-dihydroimidazo[4,5-e][1,3]diazepine has a molecular weight of 134.14 g/mol, XLogP of -1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroimidazo[4,5-e][1,3]diazepine is sourced from PubChem (CID 57495515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).