N-(fluoromethyl)pyrazin-2-amine

C5H6FN3 — CID 141333103

IUPACN-(fluoromethyl)pyrazin-2-amine
SMILESFCNc1cnccn1
InChIInChI=1S/C5H6FN3/c6-4-9-5-3-7-1-2-8-5/h1-3H,4H2,(H,8,9)
InChIKeyLQIVBKUCBVEMNP-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.82
Rot. Bonds2

About N-(fluoromethyl)pyrazin-2-amine

N-(fluoromethyl)pyrazin-2-amine (PubChem CID 141333103) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is N-(fluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(fluoromethyl)pyrazin-2-amine
PubChem CID141333103
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC NameN-(fluoromethyl)pyrazin-2-amine
SMILESFCNc1cnccn1
InChIInChI=1S/C5H6FN3/c6-4-9-5-3-7-1-2-8-5/h1-3H,4H2,(H,8,9)
InChIKeyLQIVBKUCBVEMNP-UHFFFAOYSA-N
XLogP0.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)pyrazin-2-amine?
The IUPAC name of N-(fluoromethyl)pyrazin-2-amine (CID 141333103) is N-(fluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-(fluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-(fluoromethyl)pyrazin-2-amine is FCNc1cnccn1.
What is the InChIKey of N-(fluoromethyl)pyrazin-2-amine?
The InChIKey is LQIVBKUCBVEMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c6-4-9-5-3-7-1-2-8-5/h1-3H,4H2,(H,8,9).
What are the key properties of N-(fluoromethyl)pyrazin-2-amine?
N-(fluoromethyl)pyrazin-2-amine has a molecular weight of 127.12 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 141333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).