1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile

C11H15N5O — CID 60710126

IUPAC1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile
SMILESCC(C(=O)N1CCCCC1)n1cnc(C#N)n1
InChIInChI=1S/C11H15N5O/c1-9(16-8-13-10(7-12)14-16)11(17)15-5-3-2-4-6-15/h8-9H,2-6H2,1H3
InChIKeyVMDCWOFBDUCSOP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.72
Rot. Bonds2

About 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile

1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile (PubChem CID 60710126) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile
PubChem CID60710126
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile
SMILESCC(C(=O)N1CCCCC1)n1cnc(C#N)n1
InChIInChI=1S/C11H15N5O/c1-9(16-8-13-10(7-12)14-16)11(17)15-5-3-2-4-6-15/h8-9H,2-6H2,1H3
InChIKeyVMDCWOFBDUCSOP-UHFFFAOYSA-N
XLogP0.72
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile (CID 60710126) is 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile is CC(C(=O)N1CCCCC1)n1cnc(C#N)n1.
What is the InChIKey of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is VMDCWOFBDUCSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9(16-8-13-10(7-12)14-16)11(17)15-5-3-2-4-6-15/h8-9H,2-6H2,1H3.
What are the key properties of 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile?
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 60710126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).