4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol

C16H14ClN5O — CID 23536028

IUPAC4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCN(c1cccc(Cl)c1)c1ncnc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14ClN5O/c1-22(13-4-2-3-11(17)9-13)16-19-10-18-15(21-16)20-12-5-7-14(23)8-6-12/h2-10,23H,1H3,(H,18,19,20,21)
InChIKeyAKWMOIDHMBZBDM-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.74
Rot. Bonds4

About 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol

4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23536028) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23536028
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCN(c1cccc(Cl)c1)c1ncnc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14ClN5O/c1-22(13-4-2-3-11(17)9-13)16-19-10-18-15(21-16)20-12-5-7-14(23)8-6-12/h2-10,23H,1H3,(H,18,19,20,21)
InChIKeyAKWMOIDHMBZBDM-UHFFFAOYSA-N
XLogP3.74
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3-chlorophenyl)-2-N-methyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23536510
2-N-(3-chlorophenyl)-4-N-(3-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536489
N-[3-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]but-2-ynamide
CID 91449820
bis(4-chloro-N-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine);2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine;2,4-dichloro-1,3,5-triazine;3,4-dimethoxyaniline
CID 158113183
[5-[[4-(3-chloro-4-fluoro-N-methylanilino)-1,3,5-triazin-2-yl]amino]-2,3-dihydroxyphenyl]oxidanium
CID 142056927
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
4-N-(1-benzylindazol-5-yl)-2-N-(3,4-dichlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536251
methyl 4-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]-methylamino]benzoate
CID 23536188
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
ethyl N-(4-anilino-1,3,5-triazin-2-yl)-N-phenylcarbamate
CID 175015136

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol (CID 23536028) is 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol is CN(c1cccc(Cl)c1)c1ncnc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is AKWMOIDHMBZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-22(13-4-2-3-11(17)9-13)16-19-10-18-15(21-16)20-12-5-7-14(23)8-6-12/h2-10,23H,1H3,(H,18,19,20,21).
What are the key properties of 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 327.78 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chloro-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23536028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).