1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine

C12H19N3 — CID 70152908

IUPAC1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
SMILESC=CCC1N(CC=C)C=NCN1CC=C
InChIInChI=1S/C12H19N3/c1-4-7-12-14(8-5-2)10-13-11-15(12)9-6-3/h4-6,10,12H,1-3,7-9,11H2
InChIKeyHRXOZBCRHRPNMO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.86
Rot. Bonds6

About 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine

1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine (PubChem CID 70152908) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
PubChem CID70152908
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
SMILESC=CCC1N(CC=C)C=NCN1CC=C
InChIInChI=1S/C12H19N3/c1-4-7-12-14(8-5-2)10-13-11-15(12)9-6-3/h4-6,10,12H,1-3,7-9,11H2
InChIKeyHRXOZBCRHRPNMO-UHFFFAOYSA-N
XLogP1.86
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine (CID 70152908) is 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine is C=CCC1N(CC=C)C=NCN1CC=C.
What is the InChIKey of 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The InChIKey is HRXOZBCRHRPNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-7-12-14(8-5-2)10-13-11-15(12)9-6-3/h4-6,10,12H,1-3,7-9,11H2.
What are the key properties of 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine has a molecular weight of 205.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 70152908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).