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

C8H14N4O — CID 122441487

IUPAC1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nnc(C(C)(C)C)nn1
InChIInChI=1S/C8H14N4O/c1-5(13)6-9-11-7(12-10-6)8(2,3)4/h5,13H,1-4H3
InChIKeyOBKPROLKXFENME-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.62
Rot. Bonds1

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

1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol (PubChem CID 122441487) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol
PubChem CID122441487
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nnc(C(C)(C)C)nn1
InChIInChI=1S/C8H14N4O/c1-5(13)6-9-11-7(12-10-6)8(2,3)4/h5,13H,1-4H3
InChIKeyOBKPROLKXFENME-UHFFFAOYSA-N
XLogP0.62
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol?
The IUPAC name of 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol (CID 122441487) is 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol.
What is the SMILES notation for 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol?
The canonical SMILES for 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol is CC(O)c1nnc(C(C)(C)C)nn1.
What is the InChIKey of 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol?
The InChIKey is OBKPROLKXFENME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(13)6-9-11-7(12-10-6)8(2,3)4/h5,13H,1-4H3.
What are the key properties of 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol?
1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol has a molecular weight of 182.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol is sourced from PubChem (CID 122441487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).