4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one

C18H24N4O3 — CID 121117135

IUPAC4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)n2nc(-c3ccco3)n(C3CC3)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-12-7-9-20(10-8-12)17(23)13(2)22-18(24)21(14-5-6-14)16(19-22)15-4-3-11-25-15/h3-4,11-14H,5-10H2,1-2H3
InChIKeyUFHXPEXJJSDJAU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.46
Rot. Bonds4

About 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one

4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one (PubChem CID 121117135) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
PubChem CID121117135
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)n2nc(-c3ccco3)n(C3CC3)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-12-7-9-20(10-8-12)17(23)13(2)22-18(24)21(14-5-6-14)16(19-22)15-4-3-11-25-15/h3-4,11-14H,5-10H2,1-2H3
InChIKeyUFHXPEXJJSDJAU-UHFFFAOYSA-N
XLogP2.46
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116901
4-cyclopropyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(furan-2-yl)-1,2,4-triazol-3-one
CID 121117088
tert-butyl 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]acetate
CID 121117093
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
CID 121116161
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
4-amino-2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 51496299
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 7374160
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
CID 121116164
2-benzyl-4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-one
CID 121117153
4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
CID 71793579
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 121117042
4-cyclopentyl-2-methyl-5-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121118072

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one (CID 121117135) is 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one is CC1CCN(C(=O)C(C)n2nc(-c3ccco3)n(C3CC3)c2=O)CC1.
What is the InChIKey of 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one?
The InChIKey is UFHXPEXJJSDJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-7-9-20(10-8-12)17(23)13(2)22-18(24)21(14-5-6-14)16(19-22)15-4-3-11-25-15/h3-4,11-14H,5-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one?
4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one has a molecular weight of 344.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 121117135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).