N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

C20H13Cl2N5O — CID 6410895

IUPACN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESClc1ccc(-c2ccc(/C=N\Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N5O/c21-14-6-8-16(17(22)10-14)19-9-7-15(28-19)11-23-26-20-25-18(12-24-27-20)13-4-2-1-3-5-13/h1-12H,(H,25,26,27)/b23-11-
InChIKeyPMWKJCOFVTXZEM-KSEXSDGBSA-N
MW410.26 g/mol
LogP5.55
Rot. Bonds5

About N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine

N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 6410895) has the molecular formula C20H13Cl2N5O and a molecular weight of 410.26 g/mol. Its IUPAC name is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID6410895
Molecular FormulaC20H13Cl2N5O
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC NameN-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
SMILESClc1ccc(-c2ccc(/C=N\Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N5O/c21-14-6-8-16(17(22)10-14)19-9-7-15(28-19)11-23-26-20-25-18(12-24-27-20)13-4-2-1-3-5-13/h1-12H,(H,25,26,27)/b23-11-
InChIKeyPMWKJCOFVTXZEM-KSEXSDGBSA-N
XLogP5.55
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.55
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'}

Analyze N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine (CID 6410895) is N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is Clc1ccc(-c2ccc(/C=N\Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1.
What is the InChIKey of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is PMWKJCOFVTXZEM-KSEXSDGBSA-N. The full InChI is InChI=1S/C20H13Cl2N5O/c21-14-6-8-16(17(22)10-14)19-9-7-15(28-19)11-23-26-20-25-18(12-24-27-20)13-4-2-1-3-5-13/h1-12H,(H,25,26,27)/b23-11-.
What are the key properties of N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine?
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 410.26 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 6410895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).