4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one

C15H24N6O — CID 56705252

IUPAC4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCn2ccc(C)n2)c1=O
InChIInChI=1S/C15H24N6O/c1-3-20-14(13-5-4-7-16-11-13)18-21(15(20)22)10-9-19-8-6-12(2)17-19/h6,8,13,16H,3-5,7,9-11H2,1-2H3
InChIKeyZYSXEEFPVNCTOY-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.74
Rot. Bonds5

About 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one

4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one (PubChem CID 56705252) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
PubChem CID56705252
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCn2ccc(C)n2)c1=O
InChIInChI=1S/C15H24N6O/c1-3-20-14(13-5-4-7-16-11-13)18-21(15(20)22)10-9-19-8-6-12(2)17-19/h6,8,13,16H,3-5,7,9-11H2,1-2H3
InChIKeyZYSXEEFPVNCTOY-UHFFFAOYSA-N
XLogP0.74
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one (CID 56705252) is 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one is CCn1c(C2CCCNC2)nn(CCn2ccc(C)n2)c1=O.
What is the InChIKey of 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
The InChIKey is ZYSXEEFPVNCTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-20-14(13-5-4-7-16-11-13)18-21(15(20)22)10-9-19-8-6-12(2)17-19/h6,8,13,16H,3-5,7,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one?
4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one has a molecular weight of 304.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(3-methylpyrazol-1-yl)ethyl]-5-piperidin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 56705252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).