2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile

C19H16ClN5 — CID 74221297

IUPAC2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile
SMILESCCc1nc(Nc2ccc(CC#N)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN5/c1-2-17-23-18(14-4-3-5-15(20)12-14)25-19(24-17)22-16-8-6-13(7-9-16)10-11-21/h3-9,12H,2,10H2,1H3,(H,22,23,24,25)
InChIKeyLQNZLLWTKCWUTO-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.56
Rot. Bonds5

About 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile

2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile (PubChem CID 74221297) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile
PubChem CID74221297
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile
SMILESCCc1nc(Nc2ccc(CC#N)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H16ClN5/c1-2-17-23-18(14-4-3-5-15(20)12-14)25-19(24-17)22-16-8-6-13(7-9-16)10-11-21/h3-9,12H,2,10H2,1H3,(H,22,23,24,25)
InChIKeyLQNZLLWTKCWUTO-UHFFFAOYSA-N
XLogP4.56
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile with MolForge

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Related Compounds

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
4-[[4-Amino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486362
4-[[4-Amino-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-yl]amino]benzonitrile
CID 486363
3-(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl)amino)phenyl)propan-1-ol
CID 74221498
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-(methylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486424
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486425
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486429
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-hydrazino-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486436
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486437
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486439
N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide
CID 486444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile (CID 74221297) is 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile is CCc1nc(Nc2ccc(CC#N)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile?
The InChIKey is LQNZLLWTKCWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-2-17-23-18(14-4-3-5-15(20)12-14)25-19(24-17)22-16-8-6-13(7-9-16)10-11-21/h3-9,12H,2,10H2,1H3,(H,22,23,24,25).
What are the key properties of 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile?
2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile has a molecular weight of 349.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 74221297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).