(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene

C19H18ClN5 — CID 91896434

IUPAC(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene
SMILESCCCC(/N=N/c1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN5/c1-2-6-17(24-23-16-11-9-15(20)10-12-16)18-13-21-25-19(22-18)14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3/b24-23+
InChIKeyBDNHDNISVZSFDS-WCWDXBQESA-N
MW351.84 g/mol
LogP5.82
Rot. Bonds6

About (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene

(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene (PubChem CID 91896434) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene
PubChem CID91896434
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene
SMILESCCCC(/N=N/c1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN5/c1-2-6-17(24-23-16-11-9-15(20)10-12-16)18-13-21-25-19(22-18)14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3/b24-23+
InChIKeyBDNHDNISVZSFDS-WCWDXBQESA-N
XLogP5.82
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

CID 2799497
CID 2799497
CID 3042263
CID 3042263
CID 3053950
CID 3053950
CID 56642858
CID 56642858
CID 56642870
CID 56642870
CID 56642945
CID 56642945
CID 3053952
CID 3053952
CID 3053954
CID 3053954
CID 3053025
CID 3053025
CID 3053057
CID 3053057
CID 3053064
CID 3053064
CID 3054502
CID 3054502

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene?
The IUPAC name of (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene (CID 91896434) is (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene.
What is the SMILES notation for (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene?
The canonical SMILES for (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene is CCCC(/N=N/c1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1.
What is the InChIKey of (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene?
The InChIKey is BDNHDNISVZSFDS-WCWDXBQESA-N. The full InChI is InChI=1S/C19H18ClN5/c1-2-6-17(24-23-16-11-9-15(20)10-12-16)18-13-21-25-19(22-18)14-7-4-3-5-8-14/h3-5,7-13,17H,2,6H2,1H3/b24-23+.
What are the key properties of (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene?
(4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene has a molecular weight of 351.84 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(3-phenyl-1,2,4-triazin-5-yl)butyl]diazene is sourced from PubChem (CID 91896434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).