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

C18H18FN7O — CID 4027864

IUPAC2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(NN=Cc2ccccc2O)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)
InChIKeyAXZWNDUUVWCUGC-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.97
Rot. Bonds6

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

2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 4027864) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID4027864
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCN(C)c1nc(NN=Cc2ccccc2O)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)
InChIKeyAXZWNDUUVWCUGC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 4027864) is 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is CN(C)c1nc(NN=Cc2ccccc2O)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is AXZWNDUUVWCUGC-UHFFFAOYSA-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).
What are the key properties of 2-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-[[[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-[[[4-(dimethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4027864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).