1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

C9H14N4O — CID 13036593

IUPAC1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCCCC1
InChIInChI=1S/C9H14N4O/c14-9(6-13-8-10-7-11-13)12-4-2-1-3-5-12/h7-8H,1-6H2
InChIKeyKZAMWYRTQHPLHK-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.29
Rot. Bonds2

About 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone

1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 13036593) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID13036593
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCCCC1
InChIInChI=1S/C9H14N4O/c14-9(6-13-8-10-7-11-13)12-4-2-1-3-5-12/h7-8H,1-6H2
InChIKeyKZAMWYRTQHPLHK-UHFFFAOYSA-N
XLogP0.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone (CID 13036593) is 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is KZAMWYRTQHPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(6-13-8-10-7-11-13)12-4-2-1-3-5-12/h7-8H,1-6H2.
What are the key properties of 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone?
1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 13036593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).