N-(2-fluorooxan-3-yl)pyrazin-2-amine

C9H12FN3O — CID 126857061

IUPACN-(2-fluorooxan-3-yl)pyrazin-2-amine
SMILESFC1OCCCC1Nc1cnccn1
InChIInChI=1S/C9H12FN3O/c10-9-7(2-1-5-14-9)13-8-6-11-3-4-12-8/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyVPSFJHFEHMRLFH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.36
Rot. Bonds2

About N-(2-fluorooxan-3-yl)pyrazin-2-amine

N-(2-fluorooxan-3-yl)pyrazin-2-amine (PubChem CID 126857061) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is N-(2-fluorooxan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-fluorooxan-3-yl)pyrazin-2-amine
PubChem CID126857061
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC NameN-(2-fluorooxan-3-yl)pyrazin-2-amine
SMILESFC1OCCCC1Nc1cnccn1
InChIInChI=1S/C9H12FN3O/c10-9-7(2-1-5-14-9)13-8-6-11-3-4-12-8/h3-4,6-7,9H,1-2,5H2,(H,12,13)
InChIKeyVPSFJHFEHMRLFH-UHFFFAOYSA-N
XLogP1.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorooxan-3-yl)pyrazin-2-amine?
The IUPAC name of N-(2-fluorooxan-3-yl)pyrazin-2-amine (CID 126857061) is N-(2-fluorooxan-3-yl)pyrazin-2-amine.
What is the SMILES notation for N-(2-fluorooxan-3-yl)pyrazin-2-amine?
The canonical SMILES for N-(2-fluorooxan-3-yl)pyrazin-2-amine is FC1OCCCC1Nc1cnccn1.
What is the InChIKey of N-(2-fluorooxan-3-yl)pyrazin-2-amine?
The InChIKey is VPSFJHFEHMRLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-9-7(2-1-5-14-9)13-8-6-11-3-4-12-8/h3-4,6-7,9H,1-2,5H2,(H,12,13).
What are the key properties of N-(2-fluorooxan-3-yl)pyrazin-2-amine?
N-(2-fluorooxan-3-yl)pyrazin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorooxan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 126857061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).