2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate

C18H25N3O3 — CID 86952532

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate
SMILESCC(CC1CCCCC1)C(=O)OCCn1nc2ccccn2c1=O
InChIInChI=1S/C18H25N3O3/c1-14(13-15-7-3-2-4-8-15)17(22)24-12-11-21-18(23)20-10-6-5-9-16(20)19-21/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3
InChIKeyQNCJNBHGXHGUDG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds6

About 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate

2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate (PubChem CID 86952532) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate
PubChem CID86952532
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate
SMILESCC(CC1CCCCC1)C(=O)OCCn1nc2ccccn2c1=O
InChIInChI=1S/C18H25N3O3/c1-14(13-15-7-3-2-4-8-15)17(22)24-12-11-21-18(23)20-10-6-5-9-16(20)19-21/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3
InChIKeyQNCJNBHGXHGUDG-UHFFFAOYSA-N
XLogP2.65
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
N-(2-amino-1-cyclohexylethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide;hydrochloride
CID 119591908
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 86826458
2-[[cyclohexylmethyl(cyclopropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47089137
2-[2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42950845
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate (CID 86952532) is 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate is CC(CC1CCCCC1)C(=O)OCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate?
The InChIKey is QNCJNBHGXHGUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(13-15-7-3-2-4-8-15)17(22)24-12-11-21-18(23)20-10-6-5-9-16(20)19-21/h5-6,9-10,14-15H,2-4,7-8,11-13H2,1H3.
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate?
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate has a molecular weight of 331.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl 3-cyclohexyl-2-methylpropanoate is sourced from PubChem (CID 86952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).