spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine

C9H13N3O — CID 134828326

IUPACspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine
SMILESNCc1cc2n(n1)CC1(CC1)CO2
InChIInChI=1S/C9H13N3O/c10-4-7-3-8-12(11-7)5-9(1-2-9)6-13-8/h3H,1-2,4-6,10H2
InChIKeyRAPVJESAJREPCW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.51
Rot. Bonds1

About spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine

spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine (PubChem CID 134828326) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine.

Molecular Properties

Compound Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine
PubChem CID134828326
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine
SMILESNCc1cc2n(n1)CC1(CC1)CO2
InChIInChI=1S/C9H13N3O/c10-4-7-3-8-12(11-7)5-9(1-2-9)6-13-8/h3H,1-2,4-6,10H2
InChIKeyRAPVJESAJREPCW-UHFFFAOYSA-N
XLogP0.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine?
The IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine (CID 134828326) is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine.
What is the SMILES notation for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine?
The canonical SMILES for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine is NCc1cc2n(n1)CC1(CC1)CO2.
What is the InChIKey of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine?
The InChIKey is RAPVJESAJREPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-7-3-8-12(11-7)5-9(1-2-9)6-13-8/h3H,1-2,4-6,10H2.
What are the key properties of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine?
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine has a molecular weight of 179.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-ylmethanamine is sourced from PubChem (CID 134828326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).