3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C14H16ClN7O — CID 120955874

IUPAC3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cnn(C2(c3nc(-c4cnccn4)no3)CCNCC2)c1
InChIInChI=1S/C14H15N7O.ClH/c1-4-18-21(9-1)14(2-5-15-6-3-14)13-19-12(20-22-13)11-10-16-7-8-17-11;/h1,4,7-10,15H,2-3,5-6H2;1H
InChIKeyIBZDZCFFHWUYES-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.27
Rot. Bonds3

About 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120955874) has the molecular formula C14H16ClN7O and a molecular weight of 333.78 g/mol. Its IUPAC name is 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120955874
Molecular FormulaC14H16ClN7O
Molecular Weight333.78 g/mol
Exact Mass333.11
IUPAC Name3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cnn(C2(c3nc(-c4cnccn4)no3)CCNCC2)c1
InChIInChI=1S/C14H15N7O.ClH/c1-4-18-21(9-1)14(2-5-15-6-3-14)13-19-12(20-22-13)11-10-16-7-8-17-11;/h1,4,7-10,15H,2-3,5-6H2;1H
InChIKeyIBZDZCFFHWUYES-UHFFFAOYSA-N
XLogP1.27
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955566
3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955540
5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120955600
3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955741
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859061
5-piperidin-4-yl-3-pyrazin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119948500
3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955905
[4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]methanamine
CID 115440117
5-(4-methylpiperidin-4-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63124239
5-(4-propylpiperidin-4-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 63125978
5-[(3aS,6aS)-2-[3-(2-methylimidazol-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 128968025
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 120955874) is 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1cnn(C2(c3nc(-c4cnccn4)no3)CCNCC2)c1.
What is the InChIKey of 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IBZDZCFFHWUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O.ClH/c1-4-18-21(9-1)14(2-5-15-6-3-14)13-19-12(20-22-13)11-10-16-7-8-17-11;/h1,4,7-10,15H,2-3,5-6H2;1H.
What are the key properties of 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 333.78 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120955874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).