N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine

C12H14BrN5 — CID 80905386

IUPACN-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
SMILESCC(Nc1cncc(NN)n1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN5/c1-8(9-3-2-4-10(13)5-9)16-11-6-15-7-12(17-11)18-14/h2-8H,14H2,1H3,(H2,16,17,18)
InChIKeyZASLTYCRYDQGDY-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.70
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine

N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine (PubChem CID 80905386) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
PubChem CID80905386
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine
SMILESCC(Nc1cncc(NN)n1)c1cccc(Br)c1
InChIInChI=1S/C12H14BrN5/c1-8(9-3-2-4-10(13)5-9)16-11-6-15-7-12(17-11)18-14/h2-8H,14H2,1H3,(H2,16,17,18)
InChIKeyZASLTYCRYDQGDY-UHFFFAOYSA-N
XLogP2.70
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrazin-2-amine
CID 80921639
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
5-bromo-N-[1-(3-bromophenyl)ethyl]-4-methylpyridin-2-amine
CID 114869184
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
N-[1-(3-bromophenyl)ethyl]-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905490
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyrazin-2-amine
CID 80906571
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168
2-N-(1-phenylethyl)pyrazine-2,6-diamine
CID 78988844

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine (CID 80905386) is N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine is CC(Nc1cncc(NN)n1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine?
The InChIKey is ZASLTYCRYDQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-8(9-3-2-4-10(13)5-9)16-11-6-15-7-12(17-11)18-14/h2-8H,14H2,1H3,(H2,16,17,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine?
N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 80905386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).