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

C7H8N4O2 — CID 14739439

IUPAC1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCn1cnc2c1C(=O)NCC(=O)N2
InChIInChI=1S/C7H8N4O2/c1-11-3-9-6-5(11)7(13)8-2-4(12)10-6/h3H,2H2,1H3,(H,8,13)(H,10,12)
InChIKeyAOJKSEXXSIOMEU-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.90
Rot. Bonds

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

1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 14739439) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID14739439
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCn1cnc2c1C(=O)NCC(=O)N2
InChIInChI=1S/C7H8N4O2/c1-11-3-9-6-5(11)7(13)8-2-4(12)10-6/h3H,2H2,1H3,(H,8,13)(H,10,12)
InChIKeyAOJKSEXXSIOMEU-UHFFFAOYSA-N
XLogP-0.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione (CID 14739439) is 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione is Cn1cnc2c1C(=O)NCC(=O)N2.
What is the InChIKey of 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is AOJKSEXXSIOMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-3-9-6-5(11)7(13)8-2-4(12)10-6/h3H,2H2,1H3,(H,8,13)(H,10,12).
What are the key properties of 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione?
1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 180.17 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-4H-imidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 14739439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).