1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol

C6H10N4O2 — CID 122441488

IUPAC1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESCC(O)c1nnc(C(C)O)nn1
InChIInChI=1S/C6H10N4O2/c1-3(11)5-7-9-6(4(2)12)10-8-5/h3-4,11-12H,1-2H3
InChIKeyCXTHANCBISGKPZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.63
Rot. Bonds2

About 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol

1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol (PubChem CID 122441488) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
PubChem CID122441488
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESCC(O)c1nnc(C(C)O)nn1
InChIInChI=1S/C6H10N4O2/c1-3(11)5-7-9-6(4(2)12)10-8-5/h3-4,11-12H,1-2H3
InChIKeyCXTHANCBISGKPZ-UHFFFAOYSA-N
XLogP-0.63
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The IUPAC name of 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol (CID 122441488) is 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol.
What is the SMILES notation for 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The canonical SMILES for 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol is CC(O)c1nnc(C(C)O)nn1.
What is the InChIKey of 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The InChIKey is CXTHANCBISGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3(11)5-7-9-6(4(2)12)10-8-5/h3-4,11-12H,1-2H3.
What are the key properties of 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol has a molecular weight of 170.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol is sourced from PubChem (CID 122441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).