8-amino-1,4-diazonane-2,5-dione

C7H13N3O2 — CID 20847830

IUPAC8-amino-1,4-diazonane-2,5-dione
SMILESNC1CCC(=O)NCC(=O)NC1
InChIInChI=1S/C7H13N3O2/c8-5-1-2-6(11)10-4-7(12)9-3-5/h5H,1-4,8H2,(H,9,12)(H,10,11)
InChIKeyFMIAPYZKDDZDLN-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.66
Rot. Bonds

About 8-amino-1,4-diazonane-2,5-dione

8-amino-1,4-diazonane-2,5-dione (PubChem CID 20847830) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 8-amino-1,4-diazonane-2,5-dione.

Molecular Properties

Compound Name8-amino-1,4-diazonane-2,5-dione
PubChem CID20847830
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name8-amino-1,4-diazonane-2,5-dione
SMILESNC1CCC(=O)NCC(=O)NC1
InChIInChI=1S/C7H13N3O2/c8-5-1-2-6(11)10-4-7(12)9-3-5/h5H,1-4,8H2,(H,9,12)(H,10,11)
InChIKeyFMIAPYZKDDZDLN-UHFFFAOYSA-N
XLogP-1.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(aminomethyl)piperidin-2-one
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(4R)-4-aminopyrrolidin-2-one;dihydrochloride
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5-methylpiperidin-2-one
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11-amino-5,8,12-trioxo-1,4,7-triazacyclotridecane-2-carbothioic S-acid
CID 59917688
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
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6-amino-1,4-diazepane-2,5-dione
CID 175997562
(5R)-5-prop-1-en-2-ylpiperidin-2-one
CID 89476530
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
(5S)-5-hydroxypiperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 8-amino-1,4-diazonane-2,5-dione?
The IUPAC name of 8-amino-1,4-diazonane-2,5-dione (CID 20847830) is 8-amino-1,4-diazonane-2,5-dione.
What is the SMILES notation for 8-amino-1,4-diazonane-2,5-dione?
The canonical SMILES for 8-amino-1,4-diazonane-2,5-dione is NC1CCC(=O)NCC(=O)NC1.
What is the InChIKey of 8-amino-1,4-diazonane-2,5-dione?
The InChIKey is FMIAPYZKDDZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-5-1-2-6(11)10-4-7(12)9-3-5/h5H,1-4,8H2,(H,9,12)(H,10,11).
What are the key properties of 8-amino-1,4-diazonane-2,5-dione?
8-amino-1,4-diazonane-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of -1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,4-diazonane-2,5-dione is sourced from PubChem (CID 20847830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).