5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C7H9N3O3 — CID 170447672

IUPAC5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(N)C1=O
InChIInChI=1S/C7H9N3O3/c1-2-3-10-6(12)4(8)5(11)9-7(10)13/h2,4H,1,3,8H2,(H,9,11,13)
InChIKeyJYSHHNAROLRVDP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.42
Rot. Bonds2

About 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 170447672) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID170447672
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(N)C1=O
InChIInChI=1S/C7H9N3O3/c1-2-3-10-6(12)4(8)5(11)9-7(10)13/h2,4H,1,3,8H2,(H,9,11,13)
InChIKeyJYSHHNAROLRVDP-UHFFFAOYSA-N
XLogP-1.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 170447672) is 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(N)C1=O.
What is the InChIKey of 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JYSHHNAROLRVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-3-10-6(12)4(8)5(11)9-7(10)13/h2,4H,1,3,8H2,(H,9,11,13).
What are the key properties of 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 183.17 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 170447672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).