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

C17H17N7O — CID 135722691

IUPAC4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCNc1nc(N/N=C/c2ccc(O)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H17N7O/c1-18-15-21-16(20-13-5-3-2-4-6-13)23-17(22-15)24-19-11-12-7-9-14(25)10-8-12/h2-11,25H,1H3,(H3,18,20,21,22,23,24)/b19-11+
InChIKeyZCHSNXKHAWFETC-YBFXNURJSA-N
MW335.37 g/mol
LogP2.81
Rot. Bonds6

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

4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135722691) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135722691
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
SMILESCNc1nc(N/N=C/c2ccc(O)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H17N7O/c1-18-15-21-16(20-13-5-3-2-4-6-13)23-17(22-15)24-19-11-12-7-9-14(25)10-8-12/h2-11,25H,1H3,(H3,18,20,21,22,23,24)/b19-11+
InChIKeyZCHSNXKHAWFETC-YBFXNURJSA-N
XLogP2.81
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
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-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46495426
5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 6302561
4-[[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]diazenyl]methyl]phenol
CID 91930533
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171147964
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-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol (CID 135722691) is 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is CNc1nc(N/N=C/c2ccc(O)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZCHSNXKHAWFETC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17N7O/c1-18-15-21-16(20-13-5-3-2-4-6-13)23-17(22-15)24-19-11-12-7-9-14(25)10-8-12/h2-11,25H,1H3,(H3,18,20,21,22,23,24)/b19-11+.
What are the key properties of 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 335.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135722691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).