5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione

C8H14N4O4 — CID 118541154

IUPAC5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
SMILESNCCCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c9-4-2-1-3-8(12-16)5(13)10-7(15)11-6(8)14/h12,16H,1-4,9H2,(H2,10,11,13,14,15)
InChIKeyNAXOIEUPPKXCSF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.80
Rot. Bonds5

About 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione

5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione (PubChem CID 118541154) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
PubChem CID118541154
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
SMILESNCCCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H14N4O4/c9-4-2-1-3-8(12-16)5(13)10-7(15)11-6(8)14/h12,16H,1-4,9H2,(H2,10,11,13,14,15)
InChIKeyNAXOIEUPPKXCSF-UHFFFAOYSA-N
XLogP-1.80
TPSA133.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione (CID 118541154) is 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione is NCCCCC1(NO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is NAXOIEUPPKXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c9-4-2-1-3-8(12-16)5(13)10-7(15)11-6(8)14/h12,16H,1-4,9H2,(H2,10,11,13,14,15).
What are the key properties of 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 230.22 g/mol, XLogP of -1.80, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 118541154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).