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

C8H10N4O2 — CID 606618

IUPAC1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1C(=O)CNC(=O)c2c1ncn2C
InChIInChI=1S/C8H10N4O2/c1-11-4-10-7-6(11)8(14)9-3-5(13)12(7)2/h4H,3H2,1-2H3,(H,9,14)
InChIKeyUFQDANCKMBZYRC-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.87
Rot. Bonds

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

1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 606618) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID606618
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1C(=O)CNC(=O)c2c1ncn2C
InChIInChI=1S/C8H10N4O2/c1-11-4-10-7-6(11)8(14)9-3-5(13)12(7)2/h4H,3H2,1-2H3,(H,9,14)
InChIKeyUFQDANCKMBZYRC-UHFFFAOYSA-N
XLogP-0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
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CID 3314397
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CID 847168
Ethimizol
CID 6168
3,7-Dihydro-3,7-dimethyl-1-propyl-1H-purine-2,6-dione
CID 96448
hypoxanthine, 7-methyl-(van)
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CID 350767

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (CID 606618) is 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is CN1C(=O)CNC(=O)c2c1ncn2C.
What is the InChIKey of 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is UFQDANCKMBZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-11-4-10-7-6(11)8(14)9-3-5(13)12(7)2/h4H,3H2,1-2H3,(H,9,14).
What are the key properties of 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 194.19 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 606618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).