propanoic acid;1,3,5-triazine

C6H9N3O2 — CID 163846702

IUPACpropanoic acid;1,3,5-triazine
SMILESCCC(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.C3H6O2/c1-4-2-6-3-5-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5)
InChIKeyOQVAEYFXJTWDRQ-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.35
Rot. Bonds1

About propanoic acid;1,3,5-triazine

propanoic acid;1,3,5-triazine (PubChem CID 163846702) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is propanoic acid;1,3,5-triazine.

Molecular Properties

Compound Namepropanoic acid;1,3,5-triazine
PubChem CID163846702
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namepropanoic acid;1,3,5-triazine
SMILESCCC(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.C3H6O2/c1-4-2-6-3-5-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5)
InChIKeyOQVAEYFXJTWDRQ-UHFFFAOYSA-N
XLogP0.35
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propanoic acid;1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazin-2-yl acetate
CID 18676248
Acetic acid;1-methyl-1,3,5-triazin-1-ium;acetate
CID 21689622
Acetic acid;1,3,5-triazine
CID 21844786
1-Methyl-1,3,5-triazin-1-ium acetate
CID 22998712
Propanoic acid;1,3,5-triazine
CID 140401986
(4-Chloro-1,3,5-triazin-2-yl) propanoate
CID 141163855
Acetic acid;1,3,5-triazine
CID 160414656
Butanoic acid;1,3,5-triazine
CID 162067736
Acetic acid;1,3,5-triazin-2-amine
CID 174479402
Acetic acid;heptane;1,3,5-triazine
CID 174492903
Acetic acid;methanimidamide;1,3,5-triazine
CID 174494983
Copper;1,3,5-triazin-2-yl propanoate
CID 174784451

Frequently Asked Questions

What is the IUPAC name of propanoic acid;1,3,5-triazine?
The IUPAC name of propanoic acid;1,3,5-triazine (CID 163846702) is propanoic acid;1,3,5-triazine.
What is the SMILES notation for propanoic acid;1,3,5-triazine?
The canonical SMILES for propanoic acid;1,3,5-triazine is CCC(=O)O.c1ncncn1.
What is the InChIKey of propanoic acid;1,3,5-triazine?
The InChIKey is OQVAEYFXJTWDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H6O2/c1-4-2-6-3-5-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;1,3,5-triazine?
propanoic acid;1,3,5-triazine has a molecular weight of 155.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;1,3,5-triazine is sourced from PubChem (CID 163846702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).