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

C6H10N4O2 — CID 71477336

IUPAC2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESOCCc1nnc(CCO)nn1
InChIInChI=1S/C6H10N4O2/c11-3-1-5-7-9-6(2-4-12)10-8-5/h11-12H,1-4H2
InChIKeyCWZFDOIJDKLMQF-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.66
Rot. Bonds4

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

2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol (PubChem CID 71477336) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
PubChem CID71477336
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol
SMILESOCCc1nnc(CCO)nn1
InChIInChI=1S/C6H10N4O2/c11-3-1-5-7-9-6(2-4-12)10-8-5/h11-12H,1-4H2
InChIKeyCWZFDOIJDKLMQF-UHFFFAOYSA-N
XLogP-1.66
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The IUPAC name of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol (CID 71477336) is 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol.
What is the SMILES notation for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The canonical SMILES for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol is OCCc1nnc(CCO)nn1.
What is the InChIKey of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
The InChIKey is CWZFDOIJDKLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-3-1-5-7-9-6(2-4-12)10-8-5/h11-12H,1-4H2.
What are the key properties of 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol?
2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol has a molecular weight of 170.17 g/mol, XLogP of -1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]ethanol is sourced from PubChem (CID 71477336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).