5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

C8H11N5O — CID 63811470

IUPAC5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2cncn2)no1
InChIInChI=1S/C8H11N5O/c1-6(2)8-11-7(12-14-8)3-13-5-9-4-10-13/h4-6H,3H2,1-2H3
InChIKeyHJNWLVYAMWTGDM-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.83
Rot. Bonds3

About 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole

5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 63811470) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID63811470
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cn2cncn2)no1
InChIInChI=1S/C8H11N5O/c1-6(2)8-11-7(12-14-8)3-13-5-9-4-10-13/h4-6H,3H2,1-2H3
InChIKeyHJNWLVYAMWTGDM-UHFFFAOYSA-N
XLogP0.83
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 63811470) is 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is CC(C)c1nc(Cn2cncn2)no1.
What is the InChIKey of 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is HJNWLVYAMWTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-6(2)8-11-7(12-14-8)3-13-5-9-4-10-13/h4-6H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 193.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63811470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).