4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione

C11H16N4O2 — CID 14739435

IUPAC4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCN1CC(=O)N(CC)c2ncn(C)c2C1=O
InChIInChI=1S/C11H16N4O2/c1-4-14-6-8(16)15(5-2)10-9(11(14)17)13(3)7-12-10/h7H,4-6H2,1-3H3
InChIKeyBMTITVZMOZMEAU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.25
Rot. Bonds2

About 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione

4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 14739435) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID14739435
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCCN1CC(=O)N(CC)c2ncn(C)c2C1=O
InChIInChI=1S/C11H16N4O2/c1-4-14-6-8(16)15(5-2)10-9(11(14)17)13(3)7-12-10/h7H,4-6H2,1-3H3
InChIKeyBMTITVZMOZMEAU-UHFFFAOYSA-N
XLogP0.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CID 14739435) is 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is CCN1CC(=O)N(CC)c2ncn(C)c2C1=O.
What is the InChIKey of 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is BMTITVZMOZMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-14-6-8(16)15(5-2)10-9(11(14)17)13(3)7-12-10/h7H,4-6H2,1-3H3.
What are the key properties of 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 236.27 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-1-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 14739435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).