3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C10H15ClN6O — CID 120833998

IUPAC3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(-c2ncn(C3CCCNC3)n2)n1.Cl
InChIInChI=1S/C10H14N6O.ClH/c1-7-13-10(17-15-7)9-12-6-16(14-9)8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyKGESBBWCXAYFFE-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.98
Rot. Bonds2

About 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120833998) has the molecular formula C10H15ClN6O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120833998
Molecular FormulaC10H15ClN6O
Molecular Weight270.72 g/mol
Exact Mass270.10
IUPAC Name3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(-c2ncn(C3CCCNC3)n2)n1.Cl
InChIInChI=1S/C10H14N6O.ClH/c1-7-13-10(17-15-7)9-12-6-16(14-9)8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyKGESBBWCXAYFFE-UHFFFAOYSA-N
XLogP0.98
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120833998) is 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride is Cc1noc(-c2ncn(C3CCCNC3)n2)n1.Cl.
What is the InChIKey of 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is KGESBBWCXAYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O.ClH/c1-7-13-10(17-15-7)9-12-6-16(14-9)8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120833998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).