N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

C13H17FN6O — CID 80911666

IUPACN-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C13H17FN6O/c1-3-6-21-13-18-11(17-12(19-13)20-15)16-10-7-9(14)5-4-8(10)2/h4-5,7H,3,6,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyTXSNPEXITPYLKZ-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.14
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80911666) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80911666
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C13H17FN6O/c1-3-6-21-13-18-11(17-12(19-13)20-15)16-10-7-9(14)5-4-8(10)2/h4-5,7H,3,6,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyTXSNPEXITPYLKZ-UHFFFAOYSA-N
XLogP2.14
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine 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

N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280
6-chloro-2-N-(5-fluoro-2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80762139
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
4-ethoxy-N-(2-fluorophenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80928193
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80911513
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 80911666) is N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is TXSNPEXITPYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-3-6-21-13-18-11(17-12(19-13)20-15)16-10-7-9(14)5-4-8(10)2/h4-5,7H,3,6,15H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 292.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).