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

C14H20N6O — CID 91832080

IUPAC2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C4CC4)o3)C2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-15-13(18-16-9)11-3-2-6-20(7-11)8-12-17-19-14(21-12)10-4-5-10/h10-11H,2-8H2,1H3,(H,15,16,18)
InChIKeySILIXWZYLVZFRE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds4

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

2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 91832080) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID91832080
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C4CC4)o3)C2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-15-13(18-16-9)11-3-2-6-20(7-11)8-12-17-19-14(21-12)10-4-5-10/h10-11H,2-8H2,1H3,(H,15,16,18)
InChIKeySILIXWZYLVZFRE-UHFFFAOYSA-N
XLogP1.75
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-Cyclopropyl-5-[[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 53596194
2-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 53611445
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872306
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872338
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928094
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 72122515
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 72122544
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 72122555
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 72122563
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
CID 72122616
2-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 53609709
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872308

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 91832080) is 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nc(C2CCCN(Cc3nnc(C4CC4)o3)C2)n[nH]1.
What is the InChIKey of 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SILIXWZYLVZFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-15-13(18-16-9)11-3-2-6-20(7-11)8-12-17-19-14(21-12)10-4-5-10/h10-11H,2-8H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91832080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).