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

C4H6N4O — CID 138971667

IUPAC1-(1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nncnn1
InChIInChI=1S/C4H6N4O/c1-3(9)4-7-5-2-6-8-4/h2-3,9H,1H3
InChIKeyDZYRMXHVLDHWKV-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.68
Rot. Bonds1

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

1-(1,2,4,5-tetrazin-3-yl)ethanol (PubChem CID 138971667) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1-(1,2,4,5-tetrazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1,2,4,5-tetrazin-3-yl)ethanol
PubChem CID138971667
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1-(1,2,4,5-tetrazin-3-yl)ethanol
SMILESCC(O)c1nncnn1
InChIInChI=1S/C4H6N4O/c1-3(9)4-7-5-2-6-8-4/h2-3,9H,1H3
InChIKeyDZYRMXHVLDHWKV-UHFFFAOYSA-N
XLogP-0.68
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4,5-Tetrazin-3-yl)ethanol
CID 58490215
1-(6-Tert-butyl-1,2,4,5-tetrazin-3-yl)ethanol
CID 122441487
1-[6-(1-Hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
CID 122441488
1-(6-Methyl-1,2,4,5-tetrazin-3-yl)ethanol
CID 122441495
1,2,4,5-Tetrazin-3-ylmethanol
CID 130779625

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4,5-tetrazin-3-yl)ethanol?
The IUPAC name of 1-(1,2,4,5-tetrazin-3-yl)ethanol (CID 138971667) is 1-(1,2,4,5-tetrazin-3-yl)ethanol.
What is the SMILES notation for 1-(1,2,4,5-tetrazin-3-yl)ethanol?
The canonical SMILES for 1-(1,2,4,5-tetrazin-3-yl)ethanol is CC(O)c1nncnn1.
What is the InChIKey of 1-(1,2,4,5-tetrazin-3-yl)ethanol?
The InChIKey is DZYRMXHVLDHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-3(9)4-7-5-2-6-8-4/h2-3,9H,1H3.
What are the key properties of 1-(1,2,4,5-tetrazin-3-yl)ethanol?
1-(1,2,4,5-tetrazin-3-yl)ethanol has a molecular weight of 126.12 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4,5-tetrazin-3-yl)ethanol is sourced from PubChem (CID 138971667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).