N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

C8H12FN3O — CID 146318128

IUPACN-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESFCCNC1COc2ccnn2C1
InChIInChI=1S/C8H12FN3O/c9-2-4-10-7-5-12-8(13-6-7)1-3-11-12/h1,3,7,10H,2,4-6H2
InChIKeyZVMFBNUPGXUAPL-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.20
Rot. Bonds3

About N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine

N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (PubChem CID 146318128) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
PubChem CID146318128
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine
SMILESFCCNC1COc2ccnn2C1
InChIInChI=1S/C8H12FN3O/c9-2-4-10-7-5-12-8(13-6-7)1-3-11-12/h1,3,7,10H,2,4-6H2
InChIKeyZVMFBNUPGXUAPL-UHFFFAOYSA-N
XLogP0.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The IUPAC name of N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine (CID 146318128) is N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine.
What is the SMILES notation for N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The canonical SMILES for N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is FCCNC1COc2ccnn2C1.
What is the InChIKey of N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
The InChIKey is ZVMFBNUPGXUAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-2-4-10-7-5-12-8(13-6-7)1-3-11-12/h1,3,7,10H,2,4-6H2.
What are the key properties of N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine?
N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine has a molecular weight of 185.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-amine is sourced from PubChem (CID 146318128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).