3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole

C10H13F2N5O — CID 132970561

IUPAC3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2nc(C)nc2C(F)F)no1
InChIInChI=1S/C10H13F2N5O/c1-3-4-8-14-7(16-18-8)5-17-10(9(11)12)13-6(2)15-17/h9H,3-5H2,1-2H3
InChIKeyBAPJDLWWMWXDQF-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.91
Rot. Bonds5

About 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole

3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 132970561) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID132970561
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC Name3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2nc(C)nc2C(F)F)no1
InChIInChI=1S/C10H13F2N5O/c1-3-4-8-14-7(16-18-8)5-17-10(9(11)12)13-6(2)15-17/h9H,3-5H2,1-2H3
InChIKeyBAPJDLWWMWXDQF-UHFFFAOYSA-N
XLogP1.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole (CID 132970561) is 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cn2nc(C)nc2C(F)F)no1.
What is the InChIKey of 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is BAPJDLWWMWXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-3-4-8-14-7(16-18-8)5-17-10(9(11)12)13-6(2)15-17/h9H,3-5H2,1-2H3.
What are the key properties of 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 257.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 132970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).