4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one

C15H24N6O — CID 56710644

IUPAC4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCCn2cccn2)c1=O
InChIInChI=1S/C15H24N6O/c1-2-20-14(13-6-3-7-16-12-13)18-21(15(20)22)11-5-10-19-9-4-8-17-19/h4,8-9,13,16H,2-3,5-7,10-12H2,1H3
InChIKeyOHNUZVWROAHYNV-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.82
Rot. Bonds6

About 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one

4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one (PubChem CID 56710644) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one
PubChem CID56710644
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCNC2)nn(CCCn2cccn2)c1=O
InChIInChI=1S/C15H24N6O/c1-2-20-14(13-6-3-7-16-12-13)18-21(15(20)22)11-5-10-19-9-4-8-17-19/h4,8-9,13,16H,2-3,5-7,10-12H2,1H3
InChIKeyOHNUZVWROAHYNV-UHFFFAOYSA-N
XLogP0.82
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one (CID 56710644) is 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one is CCn1c(C2CCCNC2)nn(CCCn2cccn2)c1=O.
What is the InChIKey of 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one?
The InChIKey is OHNUZVWROAHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-20-14(13-6-3-7-16-12-13)18-21(15(20)22)11-5-10-19-9-4-8-17-19/h4,8-9,13,16H,2-3,5-7,10-12H2,1H3.
What are the key properties of 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one?
4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one has a molecular weight of 304.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-piperidin-3-yl-2-(3-pyrazol-1-ylpropyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 56710644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).