1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C15H14Cl3N5 — CID 44529843

IUPAC1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C15H13Cl2N5.ClH/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19;/h1-8,13H,(H4,18,19,20,21);1H
InChIKeyITQZPOBHDFLUJN-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.56
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44529843) has the molecular formula C15H14Cl3N5 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44529843
Molecular FormulaC15H14Cl3N5
Molecular Weight370.67 g/mol
Exact Mass369.03
IUPAC Name1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1
InChIInChI=1S/C15H13Cl2N5.ClH/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19;/h1-8,13H,(H4,18,19,20,21);1H
InChIKeyITQZPOBHDFLUJN-UHFFFAOYSA-N
XLogP3.56
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44529843) is 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cl.NC1=NC(c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is ITQZPOBHDFLUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5.ClH/c16-11-7-6-10(8-12(11)17)22-13(9-4-2-1-3-5-9)20-14(18)21-15(22)19;/h1-8,13H,(H4,18,19,20,21);1H.
What are the key properties of 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 370.67 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44529843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).