1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride

C11H19ClN4O2 — CID 166598245

IUPAC1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
SMILESCC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16;/h8H,3-7H2,1-2H3,(H,13,16);1H
InChIKeyNOHPDHSDNULMMF-UHFFFAOYSA-N
MW274.75 g/mol
LogP0.38
Rot. Bonds1

About 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride

1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride (PubChem CID 166598245) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride.

Molecular Properties

Compound Name1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
PubChem CID166598245
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride
SMILESCC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16;/h8H,3-7H2,1-2H3,(H,13,16);1H
InChIKeyNOHPDHSDNULMMF-UHFFFAOYSA-N
XLogP0.38
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The IUPAC name of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride (CID 166598245) is 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride.
What is the SMILES notation for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The canonical SMILES for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride is CC(C)N1CCC2(C1)Cn1c(n[nH]c1=O)CO2.Cl.
What is the InChIKey of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
The InChIKey is NOHPDHSDNULMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-8(2)14-4-3-11(6-14)7-15-9(5-17-11)12-13-10(15)16;/h8H,3-7H2,1-2H3,(H,13,16);1H.
What are the key properties of 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride?
1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[5,8-dihydro-2H-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one;hydrochloride is sourced from PubChem (CID 166598245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).