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

C9H12N4O2 — CID 610377

IUPAC1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(C)c2ncn(C)c2C1=O
InChIInChI=1S/C9H12N4O2/c1-11-4-6(14)13(3)8-7(9(11)15)12(2)5-10-8/h5H,4H2,1-3H3
InChIKeyJBCCCARXTWCXQP-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.53
Rot. Bonds

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

1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 610377) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID610377
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(C)c2ncn(C)c2C1=O
InChIInChI=1S/C9H12N4O2/c1-11-4-6(14)13(3)8-7(9(11)15)12(2)5-10-8/h5H,4H2,1-3H3
InChIKeyJBCCCARXTWCXQP-UHFFFAOYSA-N
XLogP-0.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CID 610377) is 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is CN1CC(=O)N(C)c2ncn(C)c2C1=O.
What is the InChIKey of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is JBCCCARXTWCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-11-4-6(14)13(3)8-7(9(11)15)12(2)5-10-8/h5H,4H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 208.22 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 610377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).