2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

C16H12Cl4N4 — CID 44531818

IUPAC2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccc(Cl)cc2c(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H11Cl3N4.ClH/c17-8-2-4-11-12(5-8)14(7-22-23-16(20)21)10-3-1-9(18)6-13(10)15(11)19;/h1-7H,(H4,20,21,23);1H
InChIKeyRGYSJXWGHKGDJR-UHFFFAOYSA-N
MW402.11 g/mol
LogP4.98
Rot. Bonds2

About 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 44531818) has the molecular formula C16H12Cl4N4 and a molecular weight of 402.11 g/mol. Its IUPAC name is 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
PubChem CID44531818
Molecular FormulaC16H12Cl4N4
Molecular Weight402.11 g/mol
Exact Mass399.98
IUPAC Name2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccc(Cl)cc2c(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H11Cl3N4.ClH/c17-8-2-4-11-12(5-8)14(7-22-23-16(20)21)10-3-1-9(18)6-13(10)15(11)19;/h1-7H,(H4,20,21,23);1H
InChIKeyRGYSJXWGHKGDJR-UHFFFAOYSA-N
XLogP4.98
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (CID 44531818) is 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=NN=Cc1c2ccc(Cl)cc2c(Cl)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is RGYSJXWGHKGDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4.ClH/c17-8-2-4-11-12(5-8)14(7-22-23-16(20)21)10-3-1-9(18)6-13(10)15(11)19;/h1-7H,(H4,20,21,23);1H.
What are the key properties of 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 402.11 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6,10-trichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 44531818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).