CID 87928146

C17H12AsClN6 — CID 87928146

IUPAC—
SMILESCc1cccc(Cl)c1Nc1nc([As])nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H12AsClN6/c1-10-3-2-4-13(19)14(10)22-17-24-15(18)23-16(25-17)21-12-7-5-11(9-20)6-8-12/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyUJINYCWZXFDEPY-UHFFFAOYSA-N
MW410.70 g/mol
LogP2.99
Rot. Bonds4

About CID 87928146

CID 87928146 (PubChem CID 87928146) has the molecular formula C17H12AsClN6 and a molecular weight of 410.70 g/mol.

Molecular Properties

Compound NameCID 87928146
PubChem CID87928146
Molecular FormulaC17H12AsClN6
Molecular Weight410.70 g/mol
Exact Mass410.00
IUPAC Name—
SMILESCc1cccc(Cl)c1Nc1nc([As])nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H12AsClN6/c1-10-3-2-4-13(19)14(10)22-17-24-15(18)23-16(25-17)21-12-7-5-11(9-20)6-8-12/h2-8H,1H3,(H2,21,22,23,24,25)
InChIKeyUJINYCWZXFDEPY-UHFFFAOYSA-N
XLogP2.99
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[[4-chloro-6-(2,4-dichloro-6-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505474
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
4-[[4-amino-6-(2,4,6-trichloroanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505492
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
4-[(4-chloro-5,6-dimethylpyrimidin-2-yl)amino]benzonitrile
CID 94672614
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
4-[[4-methylsulfanyl-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505449
4-[[5-(2,6-dichloroanilino)-1,3,4-oxadiazol-2-yl]amino]benzonitrile
CID 25023332
6-[[4-(4-cyanoanilino)-1,3,5-triazin-2-yl]amino]-5,7-dimethylnaphthalene-2-carbonitrile
CID 91824285
4-[[4-amino-6-(2,6-dibromo-4-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505532
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660

Frequently Asked Questions

What is the IUPAC name of CID 87928146?
The IUPAC name of CID 87928146 (CID 87928146) is not available.
What is the SMILES notation for CID 87928146?
The canonical SMILES for CID 87928146 is Cc1cccc(Cl)c1Nc1nc([As])nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of CID 87928146?
The InChIKey is UJINYCWZXFDEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12AsClN6/c1-10-3-2-4-13(19)14(10)22-17-24-15(18)23-16(25-17)21-12-7-5-11(9-20)6-8-12/h2-8H,1H3,(H2,21,22,23,24,25).
What are the key properties of CID 87928146?
CID 87928146 has a molecular weight of 410.70 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87928146 is sourced from PubChem (CID 87928146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).