N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C16H10Cl2N6 — CID 3745187

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc(C=NNc2nc3ccccc3n3cnnc23)c(Cl)c1
InChIInChI=1S/C16H10Cl2N6/c17-11-6-5-10(12(18)7-11)8-19-22-15-16-23-20-9-24(16)14-4-2-1-3-13(14)21-15/h1-9H,(H,21,22)
InChIKeyRTIFXBPMEIOQHT-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.03
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 3745187) has the molecular formula C16H10Cl2N6 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID3745187
Molecular FormulaC16H10Cl2N6
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1ccc(C=NNc2nc3ccccc3n3cnnc23)c(Cl)c1
InChIInChI=1S/C16H10Cl2N6/c17-11-6-5-10(12(18)7-11)8-19-22-15-16-23-20-9-24(16)14-4-2-1-3-13(14)21-15/h1-9H,(H,21,22)
InChIKeyRTIFXBPMEIOQHT-UHFFFAOYSA-N
XLogP4.03
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.03
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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Related Compounds

N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 10085894
3-N-[(2,4-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine;hydrochloride
CID 24762015
N-(3-methylbutyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6622885
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
3-chloro-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoxalin-2-amine
CID 6243010
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889066
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 3717247
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
CID 71600038

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 3745187) is N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Clc1ccc(C=NNc2nc3ccccc3n3cnnc23)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is RTIFXBPMEIOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6/c17-11-6-5-10(12(18)7-11)8-19-22-15-16-23-20-9-24(16)14-4-2-1-3-13(14)21-15/h1-9H,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 357.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 3745187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).