1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

C17H24N6O3 — CID 165421895

IUPAC1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C17H24N6O3/c1-11-13(12(2)21(3)20-11)4-5-15(24)22-7-6-17(9-22)10-23-14(8-26-17)18-19-16(23)25/h4-10H2,1-3H3,(H,19,25)
InChIKeyLDEJVFIPCHIHKG-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.06
Rot. Bonds3

About 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (PubChem CID 165421895) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
PubChem CID165421895
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2
InChIInChI=1S/C17H24N6O3/c1-11-13(12(2)21(3)20-11)4-5-15(24)22-7-6-17(9-22)10-23-14(8-26-17)18-19-16(23)25/h4-10H2,1-3H3,(H,19,25)
InChIKeyLDEJVFIPCHIHKG-UHFFFAOYSA-N
XLogP0.06
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one with MolForge

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Related Compounds

1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165422931
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 131905488
3-methyl-9-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56897333
N-[2-oxo-2-(3-oxospiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-1'-yl)ethyl]benzamide
CID 165422154
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
CID 165418303
1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 74231837
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,4-diazepan-5-one
CID 62045570
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 56891314
1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70783001
1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 136532750

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (CID 165421895) is 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is Cc1nn(C)c(C)c1CCC(=O)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.
What is the InChIKey of 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The InChIKey is LDEJVFIPCHIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-13(12(2)21(3)20-11)4-5-15(24)22-7-6-17(9-22)10-23-14(8-26-17)18-19-16(23)25/h4-10H2,1-3H3,(H,19,25).
What are the key properties of 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one has a molecular weight of 360.42 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]spiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is sourced from PubChem (CID 165421895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).