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

C17H11Cl2N5 — CID 22281690

IUPAC4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(Cl)nc(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H11Cl2N5/c18-14-4-2-1-3-12(14)9-15-22-16(19)24-17(23-15)21-13-7-5-11(10-20)6-8-13/h1-8H,9H2,(H,21,22,23,24)
InChIKeyFLIQQZCQFGCSGT-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.38
Rot. Bonds4

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

4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile (PubChem CID 22281690) has the molecular formula C17H11Cl2N5 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
PubChem CID22281690
Molecular FormulaC17H11Cl2N5
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(Cl)nc(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C17H11Cl2N5/c18-14-4-2-1-3-12(14)9-15-22-16(19)24-17(23-15)21-13-7-5-11(10-20)6-8-13/h1-8H,9H2,(H,21,22,23,24)
InChIKeyFLIQQZCQFGCSGT-UHFFFAOYSA-N
XLogP4.38
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4-[[4-[(2,6-dichlorophenyl)methyl]-6-[(2-oxooxolan-3-yl)amino]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505423
N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
CID 11338621
4-[[4-chloro-6-(2,4-dichloro-6-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505474
CID 87928146
CID 87928146
4-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]benzonitrile
CID 94672614
4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
4-[[4-amino-6-(2,4,6-trichloroanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505492
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
4-[1-[(2-chlorophenyl)methylamino]ethyl]benzonitrile
CID 43192680
2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 11176492
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile (CID 22281690) is 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile is N#Cc1ccc(Nc2nc(Cl)nc(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile?
The InChIKey is FLIQQZCQFGCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5/c18-14-4-2-1-3-12(14)9-15-22-16(19)24-17(23-15)21-13-7-5-11(10-20)6-8-13/h1-8H,9H2,(H,21,22,23,24).
What are the key properties of 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile?
4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile has a molecular weight of 356.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 22281690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).