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

C9H12N6O — CID 144874112

IUPACethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine
SMILESCC.c1ncc(-n2cnnn2)nc1C1CO1
InChIInChI=1S/C7H6N6O.C2H6/c1-5(6-3-14-6)10-7(2-8-1)13-4-9-11-12-13;1-2/h1-2,4,6H,3H2;1-2H3
InChIKeyLQZRGBHCYHKIQX-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.55
Rot. Bonds2

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

ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine (PubChem CID 144874112) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine.

Molecular Properties

Compound Nameethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine
PubChem CID144874112
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Nameethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine
SMILESCC.c1ncc(-n2cnnn2)nc1C1CO1
InChIInChI=1S/C7H6N6O.C2H6/c1-5(6-3-14-6)10-7(2-8-1)13-4-9-11-12-13;1-2/h1-2,4,6H,3H2;1-2H3
InChIKeyLQZRGBHCYHKIQX-UHFFFAOYSA-N
XLogP0.55
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)pyrazine?
The IUPAC name of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine (CID 144874112) is ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine.
What is the SMILES notation for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine?
The canonical SMILES for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine is CC.c1ncc(-n2cnnn2)nc1C1CO1.
What is the InChIKey of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine?
The InChIKey is LQZRGBHCYHKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O.C2H6/c1-5(6-3-14-6)10-7(2-8-1)13-4-9-11-12-13;1-2/h1-2,4,6H,3H2;1-2H3.
What are the key properties of ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine?
ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine has a molecular weight of 220.24 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxiran-2-yl)-6-(tetrazol-1-yl)pyrazine is sourced from PubChem (CID 144874112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).