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

C12H15BrN6O — CID 80905490

IUPACN-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC(C)c2cccc(Br)c2)n1
InChIInChI=1S/C12H15BrN6O/c1-7(8-4-3-5-9(13)6-8)15-10-16-11(19-14)18-12(17-10)20-2/h3-7H,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVWZNYKLGDWIGSH-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.10
Rot. Bonds5

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

N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80905490) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80905490
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(NC(C)c2cccc(Br)c2)n1
InChIInChI=1S/C12H15BrN6O/c1-7(8-4-3-5-9(13)6-8)15-10-16-11(19-14)18-12(17-10)20-2/h3-7H,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVWZNYKLGDWIGSH-UHFFFAOYSA-N
XLogP2.10
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.10
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

N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80901413
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
CID 80905386
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
4-ethoxy-6-hydrazinyl-N-(1-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 80906443
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
N-[1-(3-bromophenyl)ethyl]-4-chloro-3-methoxyaniline
CID 107621052
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80905490) is N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(NC(C)c2cccc(Br)c2)n1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is VWZNYKLGDWIGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6O/c1-7(8-4-3-5-9(13)6-8)15-10-16-11(19-14)18-12(17-10)20-2/h3-7H,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 339.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80905490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).