4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione

C10H14N4O2 — CID 14739438

IUPAC4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCN1CC(=O)N(CC)c2nc[nH]c2C1=O
InChIInChI=1S/C10H14N4O2/c1-3-13-5-7(15)14(4-2)9-8(10(13)16)11-6-12-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyUOOLFHMFMNMKLO-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.24
Rot. Bonds2

About 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione

4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 14739438) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID14739438
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCN1CC(=O)N(CC)c2nc[nH]c2C1=O
InChIInChI=1S/C10H14N4O2/c1-3-13-5-7(15)14(4-2)9-8(10(13)16)11-6-12-9/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyUOOLFHMFMNMKLO-UHFFFAOYSA-N
XLogP0.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (CID 14739438) is 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is CCN1CC(=O)N(CC)c2nc[nH]c2C1=O.
What is the InChIKey of 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is UOOLFHMFMNMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-13-5-7(15)14(4-2)9-8(10(13)16)11-6-12-9/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 222.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-1,6-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 14739438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).