2-N-benzhydrylpyrazine-2,6-diamine

C17H16N4 — CID 78988884

IUPAC2-N-benzhydrylpyrazine-2,6-diamine
SMILESNc1cncc(NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N4/c18-15-11-19-12-16(20-15)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H3,18,20,21)
InChIKeySDVVJPNWMAYXKS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.26
Rot. Bonds4

About 2-N-benzhydrylpyrazine-2,6-diamine

2-N-benzhydrylpyrazine-2,6-diamine (PubChem CID 78988884) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-N-benzhydrylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzhydrylpyrazine-2,6-diamine
PubChem CID78988884
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-N-benzhydrylpyrazine-2,6-diamine
SMILESNc1cncc(NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C17H16N4/c18-15-11-19-12-16(20-15)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H3,18,20,21)
InChIKeySDVVJPNWMAYXKS-UHFFFAOYSA-N
XLogP3.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzhydrylpyrazine-2,6-diamine?
The IUPAC name of 2-N-benzhydrylpyrazine-2,6-diamine (CID 78988884) is 2-N-benzhydrylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-benzhydrylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-benzhydrylpyrazine-2,6-diamine is Nc1cncc(NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-N-benzhydrylpyrazine-2,6-diamine?
The InChIKey is SDVVJPNWMAYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-15-11-19-12-16(20-15)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H3,18,20,21).
What are the key properties of 2-N-benzhydrylpyrazine-2,6-diamine?
2-N-benzhydrylpyrazine-2,6-diamine has a molecular weight of 276.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzhydrylpyrazine-2,6-diamine is sourced from PubChem (CID 78988884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).