ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine

C10H13N5O — CID 144874122

IUPACethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine
SMILESCC.c1cc(C2CO2)nc(-n2cnnn2)c1
InChIInChI=1S/C8H7N5O.C2H6/c1-2-6(7-4-14-7)10-8(3-1)13-5-9-11-12-13;1-2/h1-3,5,7H,4H2;1-2H3
InChIKeyXXPPKLUAXMPOIG-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.15
Rot. Bonds2

About ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine

ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine (PubChem CID 144874122) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine.

Molecular Properties

Compound Nameethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine
PubChem CID144874122
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Nameethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine
SMILESCC.c1cc(C2CO2)nc(-n2cnnn2)c1
InChIInChI=1S/C8H7N5O.C2H6/c1-2-6(7-4-14-7)10-8(3-1)13-5-9-11-12-13;1-2/h1-3,5,7H,4H2;1-2H3
InChIKeyXXPPKLUAXMPOIG-UHFFFAOYSA-N
XLogP1.15
TPSA69.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine?
The IUPAC name of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine (CID 144874122) is ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine.
What is the SMILES notation for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine?
The canonical SMILES for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine is CC.c1cc(C2CO2)nc(-n2cnnn2)c1.
What is the InChIKey of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine?
The InChIKey is XXPPKLUAXMPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O.C2H6/c1-2-6(7-4-14-7)10-8(3-1)13-5-9-11-12-13;1-2/h1-3,5,7H,4H2;1-2H3.
What are the key properties of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine?
ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine has a molecular weight of 219.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyridine is sourced from PubChem (CID 144874122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).