3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

C16H22N6O — CID 128979629

IUPAC3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1nnc(N2CCC(c3nc(C4CC4)no3)C2)nc1CC
InChIInChI=1S/C16H22N6O/c1-3-12-13(4-2)19-20-16(17-12)22-8-7-11(9-22)15-18-14(21-23-15)10-5-6-10/h10-11H,3-9H2,1-2H3
InChIKeyBIWYLCMGSKKAPO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.25
Rot. Bonds5

About 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 128979629) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID128979629
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1nnc(N2CCC(c3nc(C4CC4)no3)C2)nc1CC
InChIInChI=1S/C16H22N6O/c1-3-12-13(4-2)19-20-16(17-12)22-8-7-11(9-22)15-18-14(21-23-15)10-5-6-10/h10-11H,3-9H2,1-2H3
InChIKeyBIWYLCMGSKKAPO-UHFFFAOYSA-N
XLogP2.25
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-bromopiperidin-1-yl)-5,6-diethyl-1,2,4-triazine
CID 105363434
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133474987
1-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-3-yl]ethanamine
CID 105362011
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
CID 105363020
3-cyclopropyl-5-[(2R)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485091
3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 133475838
3-cyclopropyl-5-[(3S)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129347317
4-(6-chloro-2-cyclobutyl-5-ethylpyrimidin-4-yl)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)morpholine
CID 166271319
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
5-cyclopropyl-3-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133474973
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 128979629) is 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is CCc1nnc(N2CCC(c3nc(C4CC4)no3)C2)nc1CC.
What is the InChIKey of 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is BIWYLCMGSKKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-12-13(4-2)19-20-16(17-12)22-8-7-11(9-22)15-18-14(21-23-15)10-5-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 314.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128979629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).