2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

C18H18FN7O — CID 135460597

IUPAC2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(N/N=C/c2ccccc2O)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN7O/c1-26(2)18-23-16(21-14-9-7-13(19)8-10-14)22-17(24-18)25-20-11-12-5-3-4-6-15(12)27/h3-11,27H,1-2H3,(H2,21,22,23,24,25)/b20-11+
InChIKeyAXZWNDUUVWCUGC-RGVLZGJSSA-N
MW367.39 g/mol
LogP2.97
Rot. Bonds6

About 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135460597) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135460597
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(N/N=C/c2ccccc2O)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN7O/c1-26(2)18-23-16(21-14-9-7-13(19)8-10-14)22-17(24-18)25-20-11-12-5-3-4-6-15(12)27/h3-11,27H,1-2H3,(H2,21,22,23,24,25)/b20-11+
InChIKeyAXZWNDUUVWCUGC-RGVLZGJSSA-N
XLogP2.97
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Iodo-2-[[[4-(4-methylpiperazin-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3939721
4-Methoxybenzaldehyde (4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazone
CID 9595403
2-[(E)-[[4-anilino-6-(2,2-diethylhydrazinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 168298022
2-[(E)-[[4-(4-fluoroanilino)-6-(2-hydroxyethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 136484815
2-N-[(2-ethoxyphenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3507497
2-[[[4-(Methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 5240501
4-[[[4-(4-Methylpiperazin-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136049437
4-chloro-2-[(E)-(2-{4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
CID 135479762
4-[2-[[4-(5-Aminopentylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 25028470
3-[4-(5-Aminopentylamino)-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]phenol
CID 46232291
4-[(E)-{2-[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135495710
2-Hydroxy-3,5-diiodobenzaldehyde (4,6-dianilino-1,3,5-triazin-2-yl)hydrazone
CID 135531635

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 135460597) is 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is CN(C)c1nc(N/N=C/c2ccccc2O)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is AXZWNDUUVWCUGC-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-26(2)18-23-16(21-14-9-7-13(19)8-10-14)22-17(24-18)25-20-11-12-5-3-4-6-15(12)27/h3-11,27H,1-2H3,(H2,21,22,23,24,25)/b20-11+.
What are the key properties of 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 367.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135460597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).