4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

C17H14ClN5 — CID 56642945

IUPAC4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN5/c1-12(21-22-15-9-7-14(18)8-10-15)16-11-19-23-17(20-16)13-5-3-2-4-6-13/h2-11,22H,1H3/b21-12-
InChIKeyFQQIOGMAYPQNSK-MTJSOVHGSA-N
MW323.79 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline (PubChem CID 56642945) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
PubChem CID56642945
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN5/c1-12(21-22-15-9-7-14(18)8-10-15)16-11-19-23-17(20-16)13-5-3-2-4-6-13/h2-11,22H,1H3/b21-12-
InChIKeyFQQIOGMAYPQNSK-MTJSOVHGSA-N
XLogP4.03
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline (CID 56642945) is 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline is C/C(=N/Nc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The InChIKey is FQQIOGMAYPQNSK-MTJSOVHGSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-12(21-22-15-9-7-14(18)8-10-15)16-11-19-23-17(20-16)13-5-3-2-4-6-13/h2-11,22H,1H3/b21-12-.
What are the key properties of 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline has a molecular weight of 323.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline is sourced from PubChem (CID 56642945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).