1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione

C12H17N5O3 — CID 624315

IUPAC1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1C(=O)CNC(=O)c2c1nc(N1CCOCC1)n2C
InChIInChI=1S/C12H17N5O3/c1-15-8(18)7-13-11(19)9-10(15)14-12(16(9)2)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,13,19)
InChIKeyRGJSXTKNZONKFE-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.04
Rot. Bonds1

About 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione

1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 624315) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID624315
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1C(=O)CNC(=O)c2c1nc(N1CCOCC1)n2C
InChIInChI=1S/C12H17N5O3/c1-15-8(18)7-13-11(19)9-10(15)14-12(16(9)2)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,13,19)
InChIKeyRGJSXTKNZONKFE-UHFFFAOYSA-N
XLogP-1.04
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione (CID 624315) is 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is CN1C(=O)CNC(=O)c2c1nc(N1CCOCC1)n2C.
What is the InChIKey of 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is RGJSXTKNZONKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-15-8(18)7-13-11(19)9-10(15)14-12(16(9)2)17-3-5-20-6-4-17/h3-7H2,1-2H3,(H,13,19).
What are the key properties of 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione?
1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 279.30 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-morpholin-4-yl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 624315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).