5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione

C7H8N4O2 — CID 20872116

IUPAC5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione
SMILESCN1Cc2[nH]cnc2C(=O)NC1=O
InChIInChI=1S/C7H8N4O2/c1-11-2-4-5(9-3-8-4)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
InChIKeyCHVTZFDMAWAFPF-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.30
Rot. Bonds

About 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione

5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione (PubChem CID 20872116) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione.

Molecular Properties

Compound Name5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione
PubChem CID20872116
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione
SMILESCN1Cc2[nH]cnc2C(=O)NC1=O
InChIInChI=1S/C7H8N4O2/c1-11-2-4-5(9-3-8-4)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
InChIKeyCHVTZFDMAWAFPF-UHFFFAOYSA-N
XLogP-0.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione?
The IUPAC name of 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione (CID 20872116) is 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione.
What is the SMILES notation for 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione?
The canonical SMILES for 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione is CN1Cc2[nH]cnc2C(=O)NC1=O.
What is the InChIKey of 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione?
The InChIKey is CHVTZFDMAWAFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-2-4-5(9-3-8-4)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13).
What are the key properties of 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione?
5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione has a molecular weight of 180.17 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-dihydroimidazo[4,5-e][1,3]diazepine-6,8-dione is sourced from PubChem (CID 20872116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).