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

C14H20N6O — CID 80901930

IUPAC4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2ccc(C)cc2)n1
InChIInChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKAGOEBGKZBRFCH-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.04
Rot. Bonds6

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

4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 80901930) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
PubChem CID80901930
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(NC(C)c2ccc(C)cc2)n1
InChIInChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyKAGOEBGKZBRFCH-UHFFFAOYSA-N
XLogP2.04
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.04
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'}

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Related Compounds

4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377
4-ethoxy-6-hydrazinyl-N-methyl-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 80908177
2-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 80908233
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
N-(2-bromo-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931418
methyl 3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]butanoate
CID 114284142
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80897980
4-ethoxy-6-hydrazinyl-N-(3-propan-2-ylphenyl)-1,3,5-triazin-2-amine
CID 80911422
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine (CID 80901930) is 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(NC(C)c2ccc(C)cc2)n1.
What is the InChIKey of 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is KAGOEBGKZBRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-21-14-18-12(17-13(19-14)20-15)16-10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80901930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).