2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline

C15H12Cl2N6 — CID 2825686

IUPAC2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
SMILESClc1ccc(NN=CCc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N6/c16-11-6-7-14(13(17)10-11)19-18-9-8-15-20-21-22-23(15)12-4-2-1-3-5-12/h1-7,9-10,19H,8H2
InChIKeyLSRLOAGJYRWDLW-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.61
Rot. Bonds5

About 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline

2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline (PubChem CID 2825686) has the molecular formula C15H12Cl2N6 and a molecular weight of 347.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
PubChem CID2825686
Molecular FormulaC15H12Cl2N6
Molecular Weight347.21 g/mol
Exact Mass346.05
IUPAC Name2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
SMILESClc1ccc(NN=CCc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2N6/c16-11-6-7-14(13(17)10-11)19-18-9-8-15-20-21-22-23(15)12-4-2-1-3-5-12/h1-7,9-10,19H,8H2
InChIKeyLSRLOAGJYRWDLW-UHFFFAOYSA-N
XLogP3.61
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline?
The IUPAC name of 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline (CID 2825686) is 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline.
What is the SMILES notation for 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline?
The canonical SMILES for 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is Clc1ccc(NN=CCc2nnnn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline?
The InChIKey is LSRLOAGJYRWDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6/c16-11-6-7-14(13(17)10-11)19-18-9-8-15-20-21-22-23(15)12-4-2-1-3-5-12/h1-7,9-10,19H,8H2.
What are the key properties of 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline?
2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline has a molecular weight of 347.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is sourced from PubChem (CID 2825686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).