6-amino-1,4-diazepane-2,5-dione

C5H9N3O2 — CID 175997562

IUPAC6-amino-1,4-diazepane-2,5-dione
SMILESNC1CNC(=O)CNC1=O
InChIInChI=1S/C5H9N3O2/c6-3-1-7-4(9)2-8-5(3)10/h3H,1-2,6H2,(H,7,9)(H,8,10)
InChIKeyTVQNSHHOVYDCPL-UHFFFAOYSA-N
MW143.15 g/mol
LogP-2.44
Rot. Bonds

About 6-amino-1,4-diazepane-2,5-dione

6-amino-1,4-diazepane-2,5-dione (PubChem CID 175997562) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 6-amino-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name6-amino-1,4-diazepane-2,5-dione
PubChem CID175997562
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name6-amino-1,4-diazepane-2,5-dione
SMILESNC1CNC(=O)CNC1=O
InChIInChI=1S/C5H9N3O2/c6-3-1-7-4(9)2-8-5(3)10/h3H,1-2,6H2,(H,7,9)(H,8,10)
InChIKeyTVQNSHHOVYDCPL-UHFFFAOYSA-N
XLogP-2.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1,4-diazepane-2,5-dione
CID 90844463
5-amino-1,3-diazinan-4-one
CID 67494237
8-amino-1,4-diazonane-2,5-dione
CID 20847830
6-amino-1,4-diazepan-5-one
CID 55285523
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
11-amino-7-(oxomethyl)-1,4,8-triazacyclododecane-2,5,10-trione;sulfanide;yttrium
CID 59917702
3-amino-5-hydroxypiperidin-2-one
CID 54333644
3-aminopyrrolidin-2-one
CID 158709416
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
13-amino-5-methyl-1,4,8-triazacyclotetradecane-3,7,14-trione
CID 155450064
(3R,6R)-3-amino-6-methylazepan-2-one
CID 129453135
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,4-diazepane-2,5-dione?
The IUPAC name of 6-amino-1,4-diazepane-2,5-dione (CID 175997562) is 6-amino-1,4-diazepane-2,5-dione.
What is the SMILES notation for 6-amino-1,4-diazepane-2,5-dione?
The canonical SMILES for 6-amino-1,4-diazepane-2,5-dione is NC1CNC(=O)CNC1=O.
What is the InChIKey of 6-amino-1,4-diazepane-2,5-dione?
The InChIKey is TVQNSHHOVYDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-3-1-7-4(9)2-8-5(3)10/h3H,1-2,6H2,(H,7,9)(H,8,10).
What are the key properties of 6-amino-1,4-diazepane-2,5-dione?
6-amino-1,4-diazepane-2,5-dione has a molecular weight of 143.15 g/mol, XLogP of -2.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,4-diazepane-2,5-dione is sourced from PubChem (CID 175997562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).