2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine

C8H11N3 — CID 11805010

IUPAC2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine
SMILES[2H]/C(=C\C)c1nc(C([2H])([2H])[2H])nc(C([2H])([2H])[2H])n1
InChIInChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4-5H,1-3H3/b5-4+/i2D3,3D3,5D
InChIKeyGZPQHSKNPOHIDF-ZJMMQOJBSA-N
MW156.24 g/mol
LogP1.52
Rot. Bonds3

About 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine

2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine (PubChem CID 11805010) has the molecular formula C8H11N3 and a molecular weight of 156.24 g/mol. Its IUPAC name is 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine
PubChem CID11805010
Molecular FormulaC8H11N3
Molecular Weight156.24 g/mol
Exact Mass156.14
IUPAC Name2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine
SMILES[2H]/C(=C\C)c1nc(C([2H])([2H])[2H])nc(C([2H])([2H])[2H])n1
InChIInChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4-5H,1-3H3/b5-4+/i2D3,3D3,5D
InChIKeyGZPQHSKNPOHIDF-ZJMMQOJBSA-N
XLogP1.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine?
The IUPAC name of 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine (CID 11805010) is 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine.
What is the SMILES notation for 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine?
The canonical SMILES for 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine is [2H]/C(=C\C)c1nc(C([2H])([2H])[2H])nc(C([2H])([2H])[2H])n1.
What is the InChIKey of 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine?
The InChIKey is GZPQHSKNPOHIDF-ZJMMQOJBSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-8-10-6(2)9-7(3)11-8/h4-5H,1-3H3/b5-4+/i2D3,3D3,5D.
What are the key properties of 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine?
2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine has a molecular weight of 156.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-deuterioprop-1-enyl]-4,6-bis(trideuteriomethyl)-1,3,5-triazine is sourced from PubChem (CID 11805010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).