6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine

C15H11Cl3N6 — CID 1492807

IUPAC6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILES[H]/N=c1\c(N)nc(Nc2c(Cl)cc(Cl)cc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H11Cl3N6/c16-8-6-10(17)12(11(18)7-8)21-15-22-13(19)14(20)24(23-15)9-4-2-1-3-5-9/h1-7,20H,(H3,19,21,22,23)/b20-14+
InChIKeyALIBFAANFLSFIC-XSFVSMFZSA-N
MW381.65 g/mol
LogP4.03
Rot. Bonds3

About 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine

6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 1492807) has the molecular formula C15H11Cl3N6 and a molecular weight of 381.65 g/mol. Its IUPAC name is 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine
PubChem CID1492807
Molecular FormulaC15H11Cl3N6
Molecular Weight381.65 g/mol
Exact Mass380.01
IUPAC Name6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine
SMILES[H]/N=c1\c(N)nc(Nc2c(Cl)cc(Cl)cc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H11Cl3N6/c16-8-6-10(17)12(11(18)7-8)21-15-22-13(19)14(20)24(23-15)9-4-2-1-3-5-9/h1-7,20H,(H3,19,21,22,23)/b20-14+
InChIKeyALIBFAANFLSFIC-XSFVSMFZSA-N
XLogP4.03
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine (CID 1492807) is 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine is [H]/N=c1\c(N)nc(Nc2c(Cl)cc(Cl)cc2Cl)nn1-c1ccccc1.
What is the InChIKey of 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is ALIBFAANFLSFIC-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H11Cl3N6/c16-8-6-10(17)12(11(18)7-8)21-15-22-13(19)14(20)24(23-15)9-4-2-1-3-5-9/h1-7,20H,(H3,19,21,22,23)/b20-14+.
What are the key properties of 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine?
6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 381.65 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-phenyl-3-N-(2,4,6-trichlorophenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 1492807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).