3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide

C7H10N4O5 — CID 118541131

IUPAC3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide
SMILESNC(=O)CCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H10N4O5/c8-3(12)1-2-7(11-16)4(13)9-6(15)10-5(7)14/h11,16H,1-2H2,(H2,8,12)(H2,9,10,13,14,15)
InChIKeyBSOKNJUOSUYJMH-UHFFFAOYSA-N
MW230.18 g/mol
LogP-2.66
Rot. Bonds4

About 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide

3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide (PubChem CID 118541131) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide.

Molecular Properties

Compound Name3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide
PubChem CID118541131
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide
SMILESNC(=O)CCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H10N4O5/c8-3(12)1-2-7(11-16)4(13)9-6(15)10-5(7)14/h11,16H,1-2H2,(H2,8,12)(H2,9,10,13,14,15)
InChIKeyBSOKNJUOSUYJMH-UHFFFAOYSA-N
XLogP-2.66
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide?
The IUPAC name of 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide (CID 118541131) is 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide.
What is the SMILES notation for 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide?
The canonical SMILES for 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide is NC(=O)CCC1(NO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide?
The InChIKey is BSOKNJUOSUYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c8-3(12)1-2-7(11-16)4(13)9-6(15)10-5(7)14/h11,16H,1-2H2,(H2,8,12)(H2,9,10,13,14,15).
What are the key properties of 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide?
3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide has a molecular weight of 230.18 g/mol, XLogP of -2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxyamino)-2,4,6-trioxo-1,3-diazinan-5-yl]propanamide is sourced from PubChem (CID 118541131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).