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

C10H7ClN6 — CID 80760660

IUPAC4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H7ClN6/c11-8-15-9(13)17-10(16-8)14-7-3-1-6(5-12)2-4-7/h1-4H,(H3,13,14,15,16,17)
InChIKeyCQQOXXXXMHTYTA-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.72
Rot. Bonds2

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

4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile (PubChem CID 80760660) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
PubChem CID80760660
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C10H7ClN6/c11-8-15-9(13)17-10(16-8)14-7-3-1-6(5-12)2-4-7/h1-4H,(H3,13,14,15,16,17)
InChIKeyCQQOXXXXMHTYTA-UHFFFAOYSA-N
XLogP1.72
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-amino-6-(2,4,6-trichloroanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505492
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
4-[[4-amino-6-(2,6-dibromo-4-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505532
4-[[4-chloro-6-(2,4-dichloro-6-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505474
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
4-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]benzonitrile
CID 94672614
4-[[4-amino-6-(4-bromo-2,6-diethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505520
4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 22281690
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702
4-[[4-amino-6-(4-cyanoanilino)-1,3,5-triazin-2-yl]oxy]-3-methoxybenzonitrile
CID 505506
4-[[4-amino-6-[(2,4,6-trimethylphenyl)diazenyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505525
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile (CID 80760660) is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile is N#Cc1ccc(Nc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile?
The InChIKey is CQQOXXXXMHTYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c11-8-15-9(13)17-10(16-8)14-7-3-1-6(5-12)2-4-7/h1-4H,(H3,13,14,15,16,17).
What are the key properties of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile?
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile has a molecular weight of 246.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 80760660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).