4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol

C15H12ClN5O — CID 172552363

IUPAC4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol
SMILESNc1nc(Nc2ccc(O)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN5O/c16-10-3-1-9(2-4-10)13-19-14(17)21-15(20-13)18-11-5-7-12(22)8-6-11/h1-8,22H,(H3,17,18,19,20,21)
InChIKeyTWGAKOGRJBZVBS-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.22
Rot. Bonds3

About 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol

4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 172552363) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID172552363
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol
SMILESNc1nc(Nc2ccc(O)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN5O/c16-10-3-1-9(2-4-10)13-19-14(17)21-15(20-13)18-11-5-7-12(22)8-6-11/h1-8,22H,(H3,17,18,19,20,21)
InChIKeyTWGAKOGRJBZVBS-UHFFFAOYSA-N
XLogP3.22
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol (CID 172552363) is 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol is Nc1nc(Nc2ccc(O)cc2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is TWGAKOGRJBZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-10-3-1-9(2-4-10)13-19-14(17)21-15(20-13)18-11-5-7-12(22)8-6-11/h1-8,22H,(H3,17,18,19,20,21).
What are the key properties of 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 313.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 172552363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).