2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

C19H18F3N7O2 — CID 136918920

IUPAC2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCNc1nc(N/N=C\c2ccc(O)c(OC)c2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H18F3N7O2/c1-23-16-26-17(25-13-5-3-4-12(9-13)19(20,21)22)28-18(27-16)29-24-10-11-6-7-14(30)15(8-11)31-2/h3-10,30H,1-2H3,(H3,23,25,26,27,28,29)/b24-10-
InChIKeyUMGOPBSZFYQBGC-VROXFSQNSA-N
MW433.39 g/mol
LogP3.84
Rot. Bonds7

About 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 136918920) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID136918920
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCNc1nc(N/N=C\c2ccc(O)c(OC)c2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C19H18F3N7O2/c1-23-16-26-17(25-13-5-3-4-12(9-13)19(20,21)22)28-18(27-16)29-24-10-11-6-7-14(30)15(8-11)31-2/h3-10,30H,1-2H3,(H3,23,25,26,27,28,29)/b24-10-
InChIKeyUMGOPBSZFYQBGC-VROXFSQNSA-N
XLogP3.84
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
2-N-[(4-chlorophenyl)methylideneamino]-6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 91962055
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
2-[[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 5240501
6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]-2-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 90484477
4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 3726501
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
4-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135593794
4-[[[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 4266617
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 136918920) is 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is CNc1nc(N/N=C\c2ccc(O)c(OC)c2)nc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is UMGOPBSZFYQBGC-VROXFSQNSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c1-23-16-26-17(25-13-5-3-4-12(9-13)19(20,21)22)28-18(27-16)29-24-10-11-6-7-14(30)15(8-11)31-2/h3-10,30H,1-2H3,(H3,23,25,26,27,28,29)/b24-10-.
What are the key properties of 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 433.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(Z)-[[4-(methylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136918920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).