4-(2,3,4,5,6-pentadeuteriophenyl)triazine

C9H7N3 — CID 175811041

IUPAC4-(2,3,4,5,6-pentadeuteriophenyl)triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccnnn2)c([2H])c1[2H]
InChIInChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H/i1D,2D,3D,4D,5D
InChIKeyYUXBNNVWBUTOQZ-RALIUCGRSA-N
MW162.21 g/mol
LogP1.54
Rot. Bonds1

About 4-(2,3,4,5,6-pentadeuteriophenyl)triazine

4-(2,3,4,5,6-pentadeuteriophenyl)triazine (PubChem CID 175811041) has the molecular formula C9H7N3 and a molecular weight of 162.21 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentadeuteriophenyl)triazine.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentadeuteriophenyl)triazine
PubChem CID175811041
Molecular FormulaC9H7N3
Molecular Weight162.21 g/mol
Exact Mass162.10
IUPAC Name4-(2,3,4,5,6-pentadeuteriophenyl)triazine
SMILES[2H]c1c([2H])c([2H])c(-c2ccnnn2)c([2H])c1[2H]
InChIInChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H/i1D,2D,3D,4D,5D
InChIKeyYUXBNNVWBUTOQZ-RALIUCGRSA-N
XLogP1.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)triazine?
The IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)triazine (CID 175811041) is 4-(2,3,4,5,6-pentadeuteriophenyl)triazine.
What is the SMILES notation for 4-(2,3,4,5,6-pentadeuteriophenyl)triazine?
The canonical SMILES for 4-(2,3,4,5,6-pentadeuteriophenyl)triazine is [2H]c1c([2H])c([2H])c(-c2ccnnn2)c([2H])c1[2H].
What is the InChIKey of 4-(2,3,4,5,6-pentadeuteriophenyl)triazine?
The InChIKey is YUXBNNVWBUTOQZ-RALIUCGRSA-N. The full InChI is InChI=1S/C9H7N3/c1-2-4-8(5-3-1)9-6-7-10-12-11-9/h1-7H/i1D,2D,3D,4D,5D.
What are the key properties of 4-(2,3,4,5,6-pentadeuteriophenyl)triazine?
4-(2,3,4,5,6-pentadeuteriophenyl)triazine has a molecular weight of 162.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentadeuteriophenyl)triazine is sourced from PubChem (CID 175811041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).