N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine

C12H14BrN5 — CID 80895829

IUPACN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1cncc(NN)n1
InChIInChI=1S/C12H14BrN5/c1-18(8-9-2-4-10(13)5-3-9)12-7-15-6-11(16-12)17-14/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyZZBNYSKKALIITK-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine

N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine (PubChem CID 80895829) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
PubChem CID80895829
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1cncc(NN)n1
InChIInChI=1S/C12H14BrN5/c1-18(8-9-2-4-10(13)5-3-9)12-7-15-6-11(16-12)17-14/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyZZBNYSKKALIITK-UHFFFAOYSA-N
XLogP2.16
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine (CID 80895829) is N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine is CN(Cc1ccc(Br)cc1)c1cncc(NN)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine?
The InChIKey is ZZBNYSKKALIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-18(8-9-2-4-10(13)5-3-9)12-7-15-6-11(16-12)17-14/h2-7H,8,14H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine?
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine is sourced from PubChem (CID 80895829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).