2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol

C12H16N6O — CID 134077029

IUPAC2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1C1CC(c2ccccn2)NN1
InChIInChI=1S/C12H16N6O/c19-6-5-18-12(14-8-15-18)11-7-10(16-17-11)9-3-1-2-4-13-9/h1-4,8,10-11,16-17,19H,5-7H2
InChIKeyIIOALVAWINKWHJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.05
Rot. Bonds4

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

2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 134077029) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID134077029
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1C1CC(c2ccccn2)NN1
InChIInChI=1S/C12H16N6O/c19-6-5-18-12(14-8-15-18)11-7-10(16-17-11)9-3-1-2-4-13-9/h1-4,8,10-11,16-17,19H,5-7H2
InChIKeyIIOALVAWINKWHJ-UHFFFAOYSA-N
XLogP-0.05
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(oxolan-3-yl)-5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]acetic acid
CID 134127622
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
2-(diaziridin-3-yl)pyridine
CID 163685048
2-(4-methylazetidin-2-yl)pyridine
CID 116822058
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709404
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
2-(4-bromophenyl)-1-[4-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 75551224
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol (CID 134077029) is 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol is OCCn1ncnc1C1CC(c2ccccn2)NN1.
What is the InChIKey of 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is IIOALVAWINKWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c19-6-5-18-12(14-8-15-18)11-7-10(16-17-11)9-3-1-2-4-13-9/h1-4,8,10-11,16-17,19H,5-7H2.
What are the key properties of 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 260.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-pyridin-2-ylpyrazolidin-3-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 134077029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).