1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C6H7N3O4 — CID 70483409

IUPAC1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(O)Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-3(10)2-9-5(12)7-4(11)8-6(9)13/h10H,1-2H2,(H2,7,8,11,12,13)
InChIKeyFBJCTZXFPVMLHC-UHFFFAOYSA-N
MW185.14 g/mol
LogP-1.70
Rot. Bonds2

About 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 70483409) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID70483409
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(O)Cn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-3(10)2-9-5(12)7-4(11)8-6(9)13/h10H,1-2H2,(H2,7,8,11,12,13)
InChIKeyFBJCTZXFPVMLHC-UHFFFAOYSA-N
XLogP-1.70
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 70483409) is 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C(O)Cn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FBJCTZXFPVMLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-3(10)2-9-5(12)7-4(11)8-6(9)13/h10H,1-2H2,(H2,7,8,11,12,13).
What are the key properties of 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 185.14 g/mol, XLogP of -1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 70483409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).