tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate

C13H21BrN6O2 — CID 58447020

IUPACtert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2NN)CC1
InChIInChI=1S/C13H21BrN6O2/c1-13(2,3)22-12(21)20-6-4-19(5-7-20)11-10(18-15)17-9(14)8-16-11/h8H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyXLJQCMRJDBRVAP-UHFFFAOYSA-N
MW373.26 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate (PubChem CID 58447020) has the molecular formula C13H21BrN6O2 and a molecular weight of 373.26 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
PubChem CID58447020
Molecular FormulaC13H21BrN6O2
Molecular Weight373.26 g/mol
Exact Mass372.09
IUPAC Nametert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2NN)CC1
InChIInChI=1S/C13H21BrN6O2/c1-13(2,3)22-12(21)20-6-4-19(5-7-20)11-10(18-15)17-9(14)8-16-11/h8H,4-7,15H2,1-3H3,(H,17,18)
InChIKeyXLJQCMRJDBRVAP-UHFFFAOYSA-N
XLogP1.58
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
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

tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
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tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 90774753
tert-butyl 4-(5-bromo-2-oxo-1H-pyrazin-3-yl)piperazine-1-carboxylate
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tert-butyl 4-(5-bromo-3-cyano-2-pyridinyl)piperazine-1-carboxylate
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tert-butyl 4-(3-bromo-4-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 176508616
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(3-chloro-5-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 67401100
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 169205005
tert-butyl 4-(5-iodo-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 156898021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate (CID 58447020) is tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(Br)nc2NN)CC1.
What is the InChIKey of tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate?
The InChIKey is XLJQCMRJDBRVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN6O2/c1-13(2,3)22-12(21)20-6-4-19(5-7-20)11-10(18-15)17-9(14)8-16-11/h8H,4-7,15H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate has a molecular weight of 373.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 58447020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).