3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile

C12H11N5 — CID 80648145

IUPAC3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cncc(N)n1
InChIInChI=1S/C12H11N5/c1-17(12-8-15-7-11(14)16-12)10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H2,14,16)
InChIKeySGANNARJDDRNIL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.70
Rot. Bonds2

About 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile

3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile (PubChem CID 80648145) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
PubChem CID80648145
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cncc(N)n1
InChIInChI=1S/C12H11N5/c1-17(12-8-15-7-11(14)16-12)10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H2,14,16)
InChIKeySGANNARJDDRNIL-UHFFFAOYSA-N
XLogP1.70
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80958140
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981428
3-[(3-aminoquinolin-4-yl)-methylamino]benzonitrile
CID 103963260
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
3-[(6-amino-1,3-benzoxazol-2-yl)-methylamino]benzonitrile
CID 79893304
3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile?
The IUPAC name of 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile (CID 80648145) is 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile is CN(c1cccc(C#N)c1)c1cncc(N)n1.
What is the InChIKey of 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile?
The InChIKey is SGANNARJDDRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-17(12-8-15-7-11(14)16-12)10-4-2-3-9(5-10)6-13/h2-5,7-8H,1H3,(H2,14,16).
What are the key properties of 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile?
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile is sourced from PubChem (CID 80648145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).