N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

C12H16N6O2 — CID 80905492

IUPACN-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCOc1cccc(Nc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H16N6O2/c1-3-20-9-6-4-5-8(7-9)14-10-15-11(18-13)17-12(16-10)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGKOJQFDRQIPEOL-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.31
Rot. Bonds6

About N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80905492) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80905492
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCOc1cccc(Nc2nc(NN)nc(OC)n2)c1
InChIInChI=1S/C12H16N6O2/c1-3-20-9-6-4-5-8(7-9)14-10-15-11(18-13)17-12(16-10)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGKOJQFDRQIPEOL-UHFFFAOYSA-N
XLogP1.31
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
[4-(3-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80930359
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80913304
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017
[4-(4-ethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80917858
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80927875
N-(3-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80905291
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80905492) is N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is CCOc1cccc(Nc2nc(NN)nc(OC)n2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is GKOJQFDRQIPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-20-9-6-4-5-8(7-9)14-10-15-11(18-13)17-12(16-10)19-2/h4-7H,3,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80905492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).