3-N-(2-phenylphenyl)pyrazine-2,3-diamine

C16H14N4 — CID 102984843

IUPAC3-N-(2-phenylphenyl)pyrazine-2,3-diamine
SMILESNc1nccnc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-15-16(19-11-10-18-15)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H2,17,18)(H,19,20)
InChIKeyIPJCQJQKUXMEMP-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.47
Rot. Bonds3

About 3-N-(2-phenylphenyl)pyrazine-2,3-diamine

3-N-(2-phenylphenyl)pyrazine-2,3-diamine (PubChem CID 102984843) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-N-(2-phenylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-phenylphenyl)pyrazine-2,3-diamine
PubChem CID102984843
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-N-(2-phenylphenyl)pyrazine-2,3-diamine
SMILESNc1nccnc1Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-15-16(19-11-10-18-15)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H2,17,18)(H,19,20)
InChIKeyIPJCQJQKUXMEMP-UHFFFAOYSA-N
XLogP3.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(2-phenylphenyl)pyrazine-2,3-diamine (CID 102984843) is 3-N-(2-phenylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(2-phenylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(2-phenylphenyl)pyrazine-2,3-diamine is Nc1nccnc1Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-N-(2-phenylphenyl)pyrazine-2,3-diamine?
The InChIKey is IPJCQJQKUXMEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-15-16(19-11-10-18-15)20-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H2,17,18)(H,19,20).
What are the key properties of 3-N-(2-phenylphenyl)pyrazine-2,3-diamine?
3-N-(2-phenylphenyl)pyrazine-2,3-diamine has a molecular weight of 262.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102984843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).