2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol

C8H9N5O — CID 67516823

IUPAC2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
SMILESOCCc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C8H9N5O/c14-4-3-7-1-2-8(9-5-7)13-6-10-11-12-13/h1-2,5-6,14H,3-4H2
InChIKeyXSWVQBHVHVYSBX-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.41
Rot. Bonds3

About 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol

2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol (PubChem CID 67516823) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
PubChem CID67516823
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol
SMILESOCCc1ccc(-n2cnnn2)nc1
InChIInChI=1S/C8H9N5O/c14-4-3-7-1-2-8(9-5-7)13-6-10-11-12-13/h1-2,5-6,14H,3-4H2
InChIKeyXSWVQBHVHVYSBX-UHFFFAOYSA-N
XLogP-0.41
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol (CID 67516823) is 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol is OCCc1ccc(-n2cnnn2)nc1.
What is the InChIKey of 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol?
The InChIKey is XSWVQBHVHVYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c14-4-3-7-1-2-8(9-5-7)13-6-10-11-12-13/h1-2,5-6,14H,3-4H2.
What are the key properties of 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol?
2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol has a molecular weight of 191.19 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(tetrazol-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 67516823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).