ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

C8H13N5O — CID 143899654

IUPACethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCC.Cc1noc(-c2ncnn2C)n1
InChIInChI=1S/C6H7N5O.C2H6/c1-4-9-6(12-10-4)5-7-3-8-11(5)2;1-2/h3H,1-2H3;1-2H3
InChIKeyOBPNKKSDGUNVJA-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.20
Rot. Bonds1

About ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (PubChem CID 143899654) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
PubChem CID143899654
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Nameethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCC.Cc1noc(-c2ncnn2C)n1
InChIInChI=1S/C6H7N5O.C2H6/c1-4-9-6(12-10-4)5-7-3-8-11(5)2;1-2/h3H,1-2H3;1-2H3
InChIKeyOBPNKKSDGUNVJA-UHFFFAOYSA-N
XLogP1.20
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (CID 143899654) is ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is CC.Cc1noc(-c2ncnn2C)n1.
What is the InChIKey of ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is OBPNKKSDGUNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.C2H6/c1-4-9-6(12-10-4)5-7-3-8-11(5)2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 195.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 143899654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).