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

C14H22N6O — CID 56780629

IUPAC3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCCC2Cn2cncn2)n1
InChIInChI=1S/C14H22N6O/c1-2-5-13-17-14(21-18-13)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3
InChIKeyUWEMHMDCGRDOFH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.67
Rot. Bonds6

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

3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780629) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780629
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCCc1noc(CN2CCCCC2Cn2cncn2)n1
InChIInChI=1S/C14H22N6O/c1-2-5-13-17-14(21-18-13)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3
InChIKeyUWEMHMDCGRDOFH-UHFFFAOYSA-N
XLogP1.67
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780629) is 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCCc1noc(CN2CCCCC2Cn2cncn2)n1.
What is the InChIKey of 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UWEMHMDCGRDOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-5-13-17-14(21-18-13)9-19-7-4-3-6-12(19)8-20-11-15-10-16-20/h10-12H,2-9H2,1H3.
What are the key properties of 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).