2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol

C9H8N4O — CID 162406556

IUPAC2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
SMILESCc1nnc(-c2ccccc2O)nn1
InChIInChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-4-2-3-5-8(7)14/h2-5,14H,1H3
InChIKeyRAFAAXVWYQGBOM-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.95
Rot. Bonds1

About 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol

2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol (PubChem CID 162406556) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
PubChem CID162406556
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
SMILESCc1nnc(-c2ccccc2O)nn1
InChIInChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-4-2-3-5-8(7)14/h2-5,14H,1H3
InChIKeyRAFAAXVWYQGBOM-UHFFFAOYSA-N
XLogP0.95
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol?
The IUPAC name of 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol (CID 162406556) is 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol.
What is the SMILES notation for 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol?
The canonical SMILES for 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol is Cc1nnc(-c2ccccc2O)nn1.
What is the InChIKey of 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol?
The InChIKey is RAFAAXVWYQGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-4-2-3-5-8(7)14/h2-5,14H,1H3.
What are the key properties of 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol?
2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol has a molecular weight of 188.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol is sourced from PubChem (CID 162406556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).