6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione

C6H7N3O3 — CID 139176615

IUPAC6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione
SMILESC/C(O)=C/c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-3(10)2-4-7-5(11)9-6(12)8-4/h2,10H,1H3,(H2,7,8,9,11,12)/b3-2-
InChIKeyDMIOFQFWNBDBII-IHWYPQMZSA-N
MW169.14 g/mol
LogP-0.62
Rot. Bonds1

About 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione

6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione (PubChem CID 139176615) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione
PubChem CID139176615
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione
SMILESC/C(O)=C/c1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H7N3O3/c1-3(10)2-4-7-5(11)9-6(12)8-4/h2,10H,1H3,(H2,7,8,9,11,12)/b3-2-
InChIKeyDMIOFQFWNBDBII-IHWYPQMZSA-N
XLogP-0.62
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dioxo-(4,6-13C2,1,3,5-15N3)1H-1,3,5-triazine-2-carboxylic acid
CID 46782654
sodium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 54598356
6-(2-hydroxyethyl)-1H-1,3,5-triazine-2,4-dione
CID 45092655
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
6-phenacyl-1H-1,3,5-triazine-2,4-dione
CID 17065353
6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
CID 69404310
aminoazanium;4,6-dioxo-1H-1,3,5-triazin-2-olate
CID 132647845
6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
CID 10488352
6-(2-hydroxyethylamino)-1H-1,3,5-triazine-2,4-dione
CID 71392003
6-(4-ethenylphenoxy)-1H-1,3,5-triazine-2,4-dione
CID 56983272
4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione
CID 123748347
6-(2-phenylethenoxy)-1H-1,3,5-triazine-2,4-dione
CID 70395862

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione (CID 139176615) is 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione is C/C(O)=C/c1nc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is DMIOFQFWNBDBII-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3(10)2-4-7-5(11)9-6(12)8-4/h2,10H,1H3,(H2,7,8,9,11,12)/b3-2-.
What are the key properties of 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione?
6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 169.14 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-hydroxyprop-1-enyl]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 139176615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).