4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol

C18H21N7O — CID 134088617

IUPAC4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESNNc1nc(NCCc2ccc(O)cc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H21N7O/c19-25-18-23-16(20-11-10-13-6-8-15(26)9-7-13)22-17(24-18)21-12-14-4-2-1-3-5-14/h1-9,26H,10-12,19H2,(H3,20,21,22,23,24,25)
InChIKeyFEKFZPYMTBQYOM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.13
Rot. Bonds8

About 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol

4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 134088617) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID134088617
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESNNc1nc(NCCc2ccc(O)cc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H21N7O/c19-25-18-23-16(20-11-10-13-6-8-15(26)9-7-13)22-17(24-18)21-12-14-4-2-1-3-5-14/h1-9,26H,10-12,19H2,(H3,20,21,22,23,24,25)
InChIKeyFEKFZPYMTBQYOM-UHFFFAOYSA-N
XLogP2.13
TPSA121.01 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674
4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
CID 139976102
4-[2-[[4-[4-[2-[[4-(3-aminopropylamino)-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]anilino]-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11490897
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
4-[2-[[4-[(4-chlorophenyl)methylamino]-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088652
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-[2-[[4-anilino-6-[4-[[[4-(3-anilinoanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11457058
2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 70896122
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80776333

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 134088617) is 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol is NNc1nc(NCCc2ccc(O)cc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is FEKFZPYMTBQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c19-25-18-23-16(20-11-10-13-6-8-15(26)9-7-13)22-17(24-18)21-12-14-4-2-1-3-5-14/h1-9,26H,10-12,19H2,(H3,20,21,22,23,24,25).
What are the key properties of 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 351.41 g/mol, XLogP of 2.13, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 134088617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).