azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine

C12H22N4 — CID 175883554

IUPACazane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine
SMILESN.[2H]N1C([2H])(CC=C)N=CN(CC=C)C1([2H])CC=C
InChIInChI=1S/C12H19N3.H3N/c1-4-7-11-13-10-15(9-6-3)12(14-11)8-5-2;/h4-6,10-12,14H,1-3,7-9H2;1H3/i11D,12D;/hD
InChIKeyDALVAPJAWYULQN-HUXPTLDMSA-N
MW225.35 g/mol
LogP2.07
Rot. Bonds6

About azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine

azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine (PubChem CID 175883554) has the molecular formula C12H22N4 and a molecular weight of 225.35 g/mol. Its IUPAC name is azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine.

Molecular Properties

Compound Nameazane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine
PubChem CID175883554
Molecular FormulaC12H22N4
Molecular Weight225.35 g/mol
Exact Mass225.20
IUPAC Nameazane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine
SMILESN.[2H]N1C([2H])(CC=C)N=CN(CC=C)C1([2H])CC=C
InChIInChI=1S/C12H19N3.H3N/c1-4-7-11-13-10-15(9-6-3)12(14-11)8-5-2;/h4-6,10-12,14H,1-3,7-9H2;1H3/i11D,12D;/hD
InChIKeyDALVAPJAWYULQN-HUXPTLDMSA-N
XLogP2.07
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine?
The IUPAC name of azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine (CID 175883554) is azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine.
What is the SMILES notation for azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine?
The canonical SMILES for azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine is N.[2H]N1C([2H])(CC=C)N=CN(CC=C)C1([2H])CC=C.
What is the InChIKey of azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine?
The InChIKey is DALVAPJAWYULQN-HUXPTLDMSA-N. The full InChI is InChI=1S/C12H19N3.H3N/c1-4-7-11-13-10-15(9-6-3)12(14-11)8-5-2;/h4-6,10-12,14H,1-3,7-9H2;1H3/i11D,12D;/hD.
What are the key properties of azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine?
azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine has a molecular weight of 225.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,4-trideuterio-1,2,4-tris(prop-2-enyl)-1,3,5-triazine is sourced from PubChem (CID 175883554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).