3-fluoro-N-(oxan-4-yl)pyrazin-2-amine

C9H12FN3O — CID 164648147

IUPAC3-fluoro-N-(oxan-4-yl)pyrazin-2-amine
SMILESFc1nccnc1NC1CCOCC1
InChIInChI=1S/C9H12FN3O/c10-8-9(12-4-3-11-8)13-7-1-5-14-6-2-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyIOXIWZDRASSCOO-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.21
Rot. Bonds2

About 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine

3-fluoro-N-(oxan-4-yl)pyrazin-2-amine (PubChem CID 164648147) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(oxan-4-yl)pyrazin-2-amine
PubChem CID164648147
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-fluoro-N-(oxan-4-yl)pyrazin-2-amine
SMILESFc1nccnc1NC1CCOCC1
InChIInChI=1S/C9H12FN3O/c10-8-9(12-4-3-11-8)13-7-1-5-14-6-2-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyIOXIWZDRASSCOO-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-N3-(tetrahydro-2H-pyran-4-yl)pyrazine-2,3-diamine
CID 71728537
3-fluoro-N-(3-propan-2-yloxypropyl)pyrazin-2-amine
CID 125528403
N-(4-fluorooxolan-3-yl)pyrazin-2-amine
CID 126856303
N-(2-fluorooxan-3-yl)pyrazin-2-amine
CID 126857061
6-Fluoro-n-(pentan-3-yl)pyrazin-2-amine
CID 164646810
3-[(3-Fluoropyrazin-2-yl)amino]cyclobutan-1-ol
CID 164648113
3-Fluoro-n-(pentan-3-yl)pyrazin-2-amine
CID 164648117
3-Fluoro-n-(3-methoxycyclobutyl)pyrazin-2-amine
CID 164648146
n-(2,5-Dimethyloxolan-3-yl)-3-fluoropyrazin-2-amine
CID 164648150
5-fluoro-N-(3-methoxypropyl)pyrazin-2-amine
CID 165495737
5-fluoro-N-(pentan-3-yl)pyrazin-2-amine
CID 165963926
6-chloro-N-(tetrahydro-2H-pyran-4-yl)pyrazin-2-amine
CID 57502440

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine (CID 164648147) is 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine is Fc1nccnc1NC1CCOCC1.
What is the InChIKey of 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine?
The InChIKey is IOXIWZDRASSCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-9(12-4-3-11-8)13-7-1-5-14-6-2-7/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine?
3-fluoro-N-(oxan-4-yl)pyrazin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxan-4-yl)pyrazin-2-amine is sourced from PubChem (CID 164648147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).