[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine

C14H17BrN4O — CID 103061966

IUPAC[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCC(C)c1cc(Br)ccc1OCc1cnc(NN)cn1
InChIInChI=1S/C14H17BrN4O/c1-9(2)12-5-10(15)3-4-13(12)20-8-11-6-18-14(19-16)7-17-11/h3-7,9H,8,16H2,1-2H3,(H,18,19)
InChIKeyOAHZMDDXYGZDGD-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.23
Rot. Bonds5

About [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103061966) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID103061966
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCC(C)c1cc(Br)ccc1OCc1cnc(NN)cn1
InChIInChI=1S/C14H17BrN4O/c1-9(2)12-5-10(15)3-4-13(12)20-8-11-6-18-14(19-16)7-17-11/h3-7,9H,8,16H2,1-2H3,(H,18,19)
InChIKeyOAHZMDDXYGZDGD-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.23
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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Related Compounds

[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 115402628
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 115402732
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
5-(4-bromo-2-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 115402776
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
[5-[(2-fluoro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 107660720
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 113303014
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
CID 115402053
4-bromo-N-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]aniline
CID 115402812

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine (CID 103061966) is [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine is CC(C)c1cc(Br)ccc1OCc1cnc(NN)cn1.
What is the InChIKey of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is OAHZMDDXYGZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9(2)12-5-10(15)3-4-13(12)20-8-11-6-18-14(19-16)7-17-11/h3-7,9H,8,16H2,1-2H3,(H,18,19).
What are the key properties of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 337.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103061966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).