N-naphthalen-1-yl-5-phenylpyrazin-2-amine

C20H15N3 — CID 137489949

IUPACN-naphthalen-1-yl-5-phenylpyrazin-2-amine
SMILESc1ccc(-c2cnc(Nc3cccc4ccccc34)cn2)cc1
InChIInChI=1S/C20H15N3/c1-2-8-16(9-3-1)19-13-22-20(14-21-19)23-18-12-6-10-15-7-4-5-11-17(15)18/h1-14H,(H,22,23)
InChIKeyQHEZULHNKXGCDE-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.04
Rot. Bonds3

About N-naphthalen-1-yl-5-phenylpyrazin-2-amine

N-naphthalen-1-yl-5-phenylpyrazin-2-amine (PubChem CID 137489949) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-phenylpyrazin-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-phenylpyrazin-2-amine
PubChem CID137489949
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC NameN-naphthalen-1-yl-5-phenylpyrazin-2-amine
SMILESc1ccc(-c2cnc(Nc3cccc4ccccc34)cn2)cc1
InChIInChI=1S/C20H15N3/c1-2-8-16(9-3-1)19-13-22-20(14-21-19)23-18-12-6-10-15-7-4-5-11-17(15)18/h1-14H,(H,22,23)
InChIKeyQHEZULHNKXGCDE-UHFFFAOYSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The IUPAC name of N-naphthalen-1-yl-5-phenylpyrazin-2-amine (CID 137489949) is N-naphthalen-1-yl-5-phenylpyrazin-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The canonical SMILES for N-naphthalen-1-yl-5-phenylpyrazin-2-amine is c1ccc(-c2cnc(Nc3cccc4ccccc34)cn2)cc1.
What is the InChIKey of N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The InChIKey is QHEZULHNKXGCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-2-8-16(9-3-1)19-13-22-20(14-21-19)23-18-12-6-10-15-7-4-5-11-17(15)18/h1-14H,(H,22,23).
What are the key properties of N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
N-naphthalen-1-yl-5-phenylpyrazin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-phenylpyrazin-2-amine is sourced from PubChem (CID 137489949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).