2-N-benzylpyrazine-2,6-diamine

C11H12N4 — CID 70838336

IUPAC2-N-benzylpyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccccc2)n1
InChIInChI=1S/C11H12N4/c12-10-7-13-8-11(15-10)14-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H3,12,14,15)
InChIKeyQLVIBMOVKWIHLE-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.67
Rot. Bonds3

About 2-N-benzylpyrazine-2,6-diamine

2-N-benzylpyrazine-2,6-diamine (PubChem CID 70838336) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-N-benzylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzylpyrazine-2,6-diamine
PubChem CID70838336
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-N-benzylpyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccccc2)n1
InChIInChI=1S/C11H12N4/c12-10-7-13-8-11(15-10)14-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H3,12,14,15)
InChIKeyQLVIBMOVKWIHLE-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-bromophenyl)methyl]pyrazine-2,6-diamine
CID 78988997
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
2-N,4-N-dibenzylpyrimidine-2,4,6-triamine
CID 100996925
2-N-[[2-(ethoxymethyl)phenyl]methyl]pyrazine-2,6-diamine
CID 78988831
2-N-ethylpyrazine-2,6-diamine
CID 69290778
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine
CID 140905455
N-benzyl-6-imidazol-1-ylpyrazin-2-amine
CID 10060708
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
2-N-benzhydrylpyrazine-2,6-diamine
CID 78988884
4-N-benzylpyrimidine-4,6-diamine
CID 3031503

Frequently Asked Questions

What is the IUPAC name of 2-N-benzylpyrazine-2,6-diamine?
The IUPAC name of 2-N-benzylpyrazine-2,6-diamine (CID 70838336) is 2-N-benzylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-benzylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-benzylpyrazine-2,6-diamine is Nc1cncc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzylpyrazine-2,6-diamine?
The InChIKey is QLVIBMOVKWIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-10-7-13-8-11(15-10)14-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H3,12,14,15).
What are the key properties of 2-N-benzylpyrazine-2,6-diamine?
2-N-benzylpyrazine-2,6-diamine has a molecular weight of 200.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzylpyrazine-2,6-diamine is sourced from PubChem (CID 70838336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).