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

C17H21N7O2 — CID 95215767

IUPAC4-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
SMILESCCn1c([C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)n[nH]c1=O
InChIInChI=1S/C17H21N7O2/c1-3-24-15(20-21-17(24)25)13-5-4-8-23(10-13)14-7-6-12(9-18-14)16-19-11(2)22-26-16/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyZAPWPSTVWSQROO-CYBMUJFWSA-N
MW355.40 g/mol
LogP1.73
Rot. Bonds4

About 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

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 (PubChem CID 95215767) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID95215767
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name4-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
SMILESCCn1c([C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)n[nH]c1=O
InChIInChI=1S/C17H21N7O2/c1-3-24-15(20-21-17(24)25)13-5-4-8-23(10-13)14-7-6-12(9-18-14)16-19-11(2)22-26-16/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyZAPWPSTVWSQROO-CYBMUJFWSA-N
XLogP1.73
TPSA105.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
5-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 72844232
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
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
4-ethyl-3-[(3R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95221800
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
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
(1-methylimidazol-2-yl)-[(3S)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methanone
CID 97279213
1-[[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56704880
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 71794401
4-ethyl-3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 56710335

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c([C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)n[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is ZAPWPSTVWSQROO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-3-24-15(20-21-17(24)25)13-5-4-8-23(10-13)14-7-6-12(9-18-14)16-19-11(2)22-26-16/h6-7,9,13H,3-5,8,10H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 355.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95215767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).