6-propyl-1,2-dihydro-1,3,5-triazine

C6H11N3 — CID 176533065

IUPAC6-propyl-1,2-dihydro-1,3,5-triazine
SMILESCCCC1=NC=NCN1
InChIInChI=1S/C6H11N3/c1-2-3-6-8-4-7-5-9-6/h4H,2-3,5H2,1H3,(H,7,8,9)
InChIKeyOWIDXFXVHPBLLP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds2

About 6-propyl-1,2-dihydro-1,3,5-triazine

6-propyl-1,2-dihydro-1,3,5-triazine (PubChem CID 176533065) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-propyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-propyl-1,2-dihydro-1,3,5-triazine
PubChem CID176533065
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name6-propyl-1,2-dihydro-1,3,5-triazine
SMILESCCCC1=NC=NCN1
InChIInChI=1S/C6H11N3/c1-2-3-6-8-4-7-5-9-6/h4H,2-3,5H2,1H3,(H,7,8,9)
InChIKeyOWIDXFXVHPBLLP-UHFFFAOYSA-N
XLogP0.77
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propyl-1,2-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-propyl-1,2-dihydro-1,3,5-triazine (CID 176533065) is 6-propyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-propyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-propyl-1,2-dihydro-1,3,5-triazine is CCCC1=NC=NCN1.
What is the InChIKey of 6-propyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is OWIDXFXVHPBLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-6-8-4-7-5-9-6/h4H,2-3,5H2,1H3,(H,7,8,9).
What are the key properties of 6-propyl-1,2-dihydro-1,3,5-triazine?
6-propyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 125.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 176533065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).