4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one

C18H23N7O2 — CID 56712819

IUPAC4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)nn(C)c1=O
InChIInChI=1S/C18H23N7O2/c1-4-25-16(21-23(3)18(25)26)13-7-9-24(10-8-13)15-6-5-14(11-19-15)17-20-12(2)22-27-17/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyTYJVKCUGXFMONK-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.74
Rot. Bonds4

About 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one

4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one (PubChem CID 56712819) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one
PubChem CID56712819
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)nn(C)c1=O
InChIInChI=1S/C18H23N7O2/c1-4-25-16(21-23(3)18(25)26)13-7-9-24(10-8-13)15-6-5-14(11-19-15)17-20-12(2)22-27-17/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyTYJVKCUGXFMONK-UHFFFAOYSA-N
XLogP1.74
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
4-ethyl-3-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95215767
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985
(1R,5S)-6-(3-methylbut-2-enyl)-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133114888
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
3-methyl-5-[6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70731173
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one (CID 56712819) is 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one is CCn1c(C2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one?
The InChIKey is TYJVKCUGXFMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-4-25-16(21-23(3)18(25)26)13-7-9-24(10-8-13)15-6-5-14(11-19-15)17-20-12(2)22-27-17/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one?
4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one has a molecular weight of 369.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 56712819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).