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

C4H6N4O — CID 58490215

IUPAC2-(1,2,4,5-tetrazin-3-yl)ethanol
SMILESOCCc1nncnn1
InChIInChI=1S/C4H6N4O/c9-2-1-4-7-5-3-6-8-4/h3,9H,1-2H2
InChIKeyQIHIEGBWLUPBHD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.20
Rot. Bonds2

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

2-(1,2,4,5-tetrazin-3-yl)ethanol (PubChem CID 58490215) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 2-(1,2,4,5-tetrazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,4,5-tetrazin-3-yl)ethanol
PubChem CID58490215
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name2-(1,2,4,5-tetrazin-3-yl)ethanol
SMILESOCCc1nncnn1
InChIInChI=1S/C4H6N4O/c9-2-1-4-7-5-3-6-8-4/h3,9H,1-2H2
InChIKeyQIHIEGBWLUPBHD-UHFFFAOYSA-N
XLogP-1.20
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4,5-tetrazin-3-yl)ethanol?
The IUPAC name of 2-(1,2,4,5-tetrazin-3-yl)ethanol (CID 58490215) is 2-(1,2,4,5-tetrazin-3-yl)ethanol.
What is the SMILES notation for 2-(1,2,4,5-tetrazin-3-yl)ethanol?
The canonical SMILES for 2-(1,2,4,5-tetrazin-3-yl)ethanol is OCCc1nncnn1.
What is the InChIKey of 2-(1,2,4,5-tetrazin-3-yl)ethanol?
The InChIKey is QIHIEGBWLUPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c9-2-1-4-7-5-3-6-8-4/h3,9H,1-2H2.
What are the key properties of 2-(1,2,4,5-tetrazin-3-yl)ethanol?
2-(1,2,4,5-tetrazin-3-yl)ethanol has a molecular weight of 126.12 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4,5-tetrazin-3-yl)ethanol is sourced from PubChem (CID 58490215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).