4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine

C13H18N6O — CID 80908177

IUPAC4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C13H18N6O/c1-4-20-13-16-11(18-14)15-12(17-13)19(3)10-7-5-9(2)6-8-10/h5-8H,4,14H2,1-3H3,(H,15,16,17,18)
InChIKeyPSUGYPYDCOZVON-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.63
Rot. Bonds5

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

4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 80908177) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID80908177
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(N(C)c2ccc(C)cc2)n1
InChIInChI=1S/C13H18N6O/c1-4-20-13-16-11(18-14)15-12(17-13)19(3)10-7-5-9(2)6-8-10/h5-8H,4,14H2,1-3H3,(H,15,16,17,18)
InChIKeyPSUGYPYDCOZVON-UHFFFAOYSA-N
XLogP1.63
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 80930123
4-hydrazinyl-6-methoxy-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CID 80927383
4-ethoxy-6-hydrazinyl-N-methyl-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80913146
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
N-cycloheptyl-4-ethoxy-6-hydrazinyl-N-methyl-1,3,5-triazin-2-amine
CID 80899497
4-ethoxy-6-hydrazinyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3,5-triazin-2-amine
CID 80895923
4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 80919030
4-ethoxy-6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80896501
2-[(2-amino-2-oxoethyl)-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80919652
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
[4-ethoxy-6-(2-fluoro-5-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80921400

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 80908177) is 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(N(C)c2ccc(C)cc2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is PSUGYPYDCOZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-20-13-16-11(18-14)15-12(17-13)19(3)10-7-5-9(2)6-8-10/h5-8H,4,14H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80908177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).