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

C17H24N6O2 — CID 166294333

IUPAC5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
SMILESCn1ccc(CCC(=O)N2CCC(n3nc(C4CC4)[nH]c3=O)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-21-9-6-13(19-21)4-5-15(24)22-10-7-14(8-11-22)23-17(25)18-16(20-23)12-2-3-12/h6,9,12,14H,2-5,7-8,10-11H2,1H3,(H,18,20,25)
InChIKeyUDWRXLUGGINPMS-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.98
Rot. Bonds5

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

5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one (PubChem CID 166294333) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
PubChem CID166294333
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
SMILESCn1ccc(CCC(=O)N2CCC(n3nc(C4CC4)[nH]c3=O)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-21-9-6-13(19-21)4-5-15(24)22-10-7-14(8-11-22)23-17(25)18-16(20-23)12-2-3-12/h6,9,12,14H,2-5,7-8,10-11H2,1H3,(H,18,20,25)
InChIKeyUDWRXLUGGINPMS-UHFFFAOYSA-N
XLogP0.98
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one (CID 166294333) is 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one is Cn1ccc(CCC(=O)N2CCC(n3nc(C4CC4)[nH]c3=O)CC2)n1.
What is the InChIKey of 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one?
The InChIKey is UDWRXLUGGINPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-9-6-13(19-21)4-5-15(24)22-10-7-14(8-11-22)23-17(25)18-16(20-23)12-2-3-12/h6,9,12,14H,2-5,7-8,10-11H2,1H3,(H,18,20,25).
What are the key properties of 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one?
5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one has a molecular weight of 344.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 166294333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).