1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol

C10H10N4O — CID 134905252

IUPAC1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C10H10N4O/c1-7(15)9-11-13-10(14-12-9)8-5-3-2-4-6-8/h2-7,15H,1H3
InChIKeyJJVKTYATJOOJCR-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.99
Rot. Bonds2

About 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol

1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol (PubChem CID 134905252) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol
PubChem CID134905252
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nnc(-c2ccccc2)nn1
InChIInChI=1S/C10H10N4O/c1-7(15)9-11-13-10(14-12-9)8-5-3-2-4-6-8/h2-7,15H,1H3
InChIKeyJJVKTYATJOOJCR-UHFFFAOYSA-N
XLogP0.99
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol?
The IUPAC name of 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol (CID 134905252) is 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol.
What is the SMILES notation for 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol?
The canonical SMILES for 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol is CC(O)c1nnc(-c2ccccc2)nn1.
What is the InChIKey of 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol?
The InChIKey is JJVKTYATJOOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7(15)9-11-13-10(14-12-9)8-5-3-2-4-6-8/h2-7,15H,1H3.
What are the key properties of 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol?
1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol has a molecular weight of 202.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenyl-1,2,4,5-tetrazin-3-yl)ethanol is sourced from PubChem (CID 134905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).