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

C11H12N6O — CID 138486906

IUPAC4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N)nc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H3,12,14,15,16,17)/b13-6+
InChIKeyUPIMWUUWZYWGHD-AWNIVKPZSA-N
MW244.26 g/mol
LogP0.91
Rot. Bonds3

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

4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 138486906) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID138486906
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N)nc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H3,12,14,15,16,17)/b13-6+
InChIKeyUPIMWUUWZYWGHD-AWNIVKPZSA-N
XLogP0.91
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methyl-1,3,5-triazin-2-amine
CID 9634107
2-[(E)-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-YL)hydrazin-1-ylidene]methyl]phenol
CID 135439758
4-[(E)-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135519955
4-[(3,5-Dimethyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135457669
2-[[(4-Amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 2726640
3-[(Z)-[(3,5-Dimethyl-4H-1,2,4-triazol-4-YL)imino]methyl]phenol
CID 5402139
4-[(E)-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methyl-carbonimidoyl]phenol
CID 136233503
2-[(Z)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 136799699
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]-1,3,5-triazin-2-amine
CID 174960188
N-[1-(3,5-tert-Butyl-4-hydroxyphenyl)-methylidene]-N'-(4,6-dichloro-1,3,5-triazin-2-yl)-hydrazine
CID 139215963
(e)-4-(((4-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)-8-methyl-1,2,4,8-tetraazaspiro[4.5]dec-2-en-3-yl)imino)methyl)phenol
CID 168268345
4-[N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methylcarbonimidoyl]phenol
CID 172022073

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (CID 138486906) is 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is Cc1nc(N)nc(N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is UPIMWUUWZYWGHD-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-14-10(12)16-11(15-7)17-13-6-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H3,12,14,15,16,17)/b13-6+.
What are the key properties of 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 244.26 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-amino-6-methyl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 138486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).