2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol

C15H12ClN5O — CID 3445006

IUPAC2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol
SMILESNc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21)
InChIKeyGLZDHSRHLCFCED-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol

2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol (PubChem CID 3445006) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol.

Molecular Properties

Compound Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol
PubChem CID3445006
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol
SMILESNc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21)
InChIKeyGLZDHSRHLCFCED-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol?
The IUPAC name of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol (CID 3445006) is 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol.
What is the SMILES notation for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol?
The canonical SMILES for 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol is Nc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol?
The InChIKey is GLZDHSRHLCFCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21).
What are the key properties of 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol?
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol 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 2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-4-chlorophenol is sourced from PubChem (CID 3445006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).