3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine

C9H12FN3O — CID 164648146

IUPAC3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine
SMILESCOC1CC(Nc2nccnc2F)C1
InChIInChI=1S/C9H12FN3O/c1-14-7-4-6(5-7)13-9-8(10)11-2-3-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyQZPDWJIQQPTTLQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.21
Rot. Bonds3

About 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine

3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine (PubChem CID 164648146) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine
PubChem CID164648146
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine
SMILESCOC1CC(Nc2nccnc2F)C1
InChIInChI=1S/C9H12FN3O/c1-14-7-4-6(5-7)13-9-8(10)11-2-3-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyQZPDWJIQQPTTLQ-UHFFFAOYSA-N
XLogP1.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine (CID 164648146) is 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine is COC1CC(Nc2nccnc2F)C1.
What is the InChIKey of 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine?
The InChIKey is QZPDWJIQQPTTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-14-7-4-6(5-7)13-9-8(10)11-2-3-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine?
3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxycyclobutyl)pyrazin-2-amine is sourced from PubChem (CID 164648146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).