5-phenylpyrazin-2-amine

C10H9N3 — CID 598734

IUPAC5-phenylpyrazin-2-amine
SMILESNc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C10H9N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
InChIKeyKJAKXVBZQBPPOB-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.73
Rot. Bonds1

About 5-phenylpyrazin-2-amine

5-phenylpyrazin-2-amine (PubChem CID 598734) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-phenylpyrazin-2-amine
PubChem CID598734
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name5-phenylpyrazin-2-amine
SMILESNc1cnc(-c2ccccc2)cn1
InChIInChI=1S/C10H9N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
InChIKeyKJAKXVBZQBPPOB-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpyrazin-2-amine?
The IUPAC name of 5-phenylpyrazin-2-amine (CID 598734) is 5-phenylpyrazin-2-amine.
What is the SMILES notation for 5-phenylpyrazin-2-amine?
The canonical SMILES for 5-phenylpyrazin-2-amine is Nc1cnc(-c2ccccc2)cn1.
What is the InChIKey of 5-phenylpyrazin-2-amine?
The InChIKey is KJAKXVBZQBPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13).
What are the key properties of 5-phenylpyrazin-2-amine?
5-phenylpyrazin-2-amine has a molecular weight of 171.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrazin-2-amine is sourced from PubChem (CID 598734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).