3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole

C9H14N6O — CID 146448623

IUPAC3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
SMILESc1c(C2=NCON2)nnn1C1CCNCC1
InChIInChI=1S/C9H14N6O/c1-3-10-4-2-7(1)15-5-8(12-14-15)9-11-6-16-13-9/h5,7,10H,1-4,6H2,(H,11,13)
InChIKeyJUGGZIRAHJDCSF-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.56
Rot. Bonds2

About 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole

3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 146448623) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID146448623
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
SMILESc1c(C2=NCON2)nnn1C1CCNCC1
InChIInChI=1S/C9H14N6O/c1-3-10-4-2-7(1)15-5-8(12-14-15)9-11-6-16-13-9/h5,7,10H,1-4,6H2,(H,11,13)
InChIKeyJUGGZIRAHJDCSF-UHFFFAOYSA-N
XLogP-0.56
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole (CID 146448623) is 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole is c1c(C2=NCON2)nnn1C1CCNCC1.
What is the InChIKey of 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is JUGGZIRAHJDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-3-10-4-2-7(1)15-5-8(12-14-15)9-11-6-16-13-9/h5,7,10H,1-4,6H2,(H,11,13).
What are the key properties of 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole?
3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 146448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).