2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile

C12H13N7 — CID 744712

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCN(C)c1nc(N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C12H13N7/c1-19(2)12-17-10(14)16-11(18-12)15-9-6-4-3-5-8(9)7-13/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyVZJAHGKMTKHVNF-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.14
Rot. Bonds3

About 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile (PubChem CID 744712) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
PubChem CID744712
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESCN(C)c1nc(N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C12H13N7/c1-19(2)12-17-10(14)16-11(18-12)15-9-6-4-3-5-8(9)7-13/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyVZJAHGKMTKHVNF-UHFFFAOYSA-N
XLogP1.14
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile (CID 744712) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile is CN(C)c1nc(N)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile?
The InChIKey is VZJAHGKMTKHVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-19(2)12-17-10(14)16-11(18-12)15-9-6-4-3-5-8(9)7-13/h3-6H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 744712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).