2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid

C16H20N6O3 — CID 134127622

IUPAC2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CCOC2)nc1C1CC(c2ccccn2)NN1
InChIInChI=1S/C16H20N6O3/c23-14(24)8-22-16(18-15(21-22)10-4-6-25-9-10)13-7-12(19-20-13)11-3-1-2-5-17-11/h1-3,5,10,12-13,19-20H,4,6-9H2,(H,23,24)
InChIKeyZEKUAUVOOZZHJA-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.54
Rot. Bonds5

About 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid

2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 134127622) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID134127622
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
SMILESO=C(O)Cn1nc(C2CCOC2)nc1C1CC(c2ccccn2)NN1
InChIInChI=1S/C16H20N6O3/c23-14(24)8-22-16(18-15(21-22)10-4-6-25-9-10)13-7-12(19-20-13)11-3-1-2-5-17-11/h1-3,5,10,12-13,19-20H,4,6-9H2,(H,23,24)
InChIKeyZEKUAUVOOZZHJA-UHFFFAOYSA-N
XLogP0.54
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-[4-(aminomethyl)phenyl]-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74243117
3-[[2-benzyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]methyl]imidazolidine-2,4-dione
CID 72906414
2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol
CID 134077029
3-(oxolan-3-yl)-5-(5-phenylpyrazolidin-3-yl)-1,2,4-oxadiazole
CID 134127275
2-[3-[(4-fluorophenoxy)methyl]-5-(oxan-4-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74238916
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 74250871
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563824
(5S)-5-pyridin-2-ylmorpholin-3-one
CID 131099738
2-[5-[(R)-cyclohexyl(hydroxy)methyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74240474
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazolidin-3-yl]pyridine
CID 134127565

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid (CID 134127622) is 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid is O=C(O)Cn1nc(C2CCOC2)nc1C1CC(c2ccccn2)NN1.
What is the InChIKey of 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is ZEKUAUVOOZZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c23-14(24)8-22-16(18-15(21-22)10-4-6-25-9-10)13-7-12(19-20-13)11-3-1-2-5-17-11/h1-3,5,10,12-13,19-20H,4,6-9H2,(H,23,24).
What are the key properties of 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid?
2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 344.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 134127622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).