N-[(4-fluorophenyl)methyl]pyrazin-2-amine

C11H10FN3 — CID 3542783

IUPACN-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10FN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyROQSRZITANMCHG-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.23
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]pyrazin-2-amine

N-[(4-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 3542783) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID3542783
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC NameN-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESFc1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C11H10FN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15)
InChIKeyROQSRZITANMCHG-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]pyrazin-2-amine (CID 3542783) is N-[(4-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]pyrazin-2-amine is Fc1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is ROQSRZITANMCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c12-10-3-1-9(2-4-10)7-15-11-8-13-5-6-14-11/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
N-[(4-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 203.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 3542783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).