tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride

C9H18ClN3O2 — CID 19049020

IUPACtert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN=C(N)C1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12;/h4-6H2,1-3H3,(H2,10,11);1H
InChIKeyMRXNSIJMEQUGON-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.02
Rot. Bonds

About tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride

tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride (PubChem CID 19049020) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride
PubChem CID19049020
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Nametert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN=C(N)C1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12;/h4-6H2,1-3H3,(H2,10,11);1H
InChIKeyMRXNSIJMEQUGON-UHFFFAOYSA-N
XLogP1.02
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride (CID 19049020) is tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN=C(N)C1.Cl.
What is the InChIKey of tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride?
The InChIKey is MRXNSIJMEQUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12;/h4-6H2,1-3H3,(H2,10,11);1H.
What are the key properties of tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride?
tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate;hydrochloride is sourced from PubChem (CID 19049020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).