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

C9H17N3O2 — CID 54384310

IUPACtert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=CC1N
InChIInChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-5-4-11-6-7(12)10/h6-7H,4-5,10H2,1-3H3
InChIKeyVCDUDGCNHXJUQY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.59
Rot. Bonds

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

tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 54384310) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID54384310
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nametert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=CC1N
InChIInChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-5-4-11-6-7(12)10/h6-7H,4-5,10H2,1-3H3
InChIKeyVCDUDGCNHXJUQY-UHFFFAOYSA-N
XLogP0.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 54384310) is tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=CC1N.
What is the InChIKey of tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VCDUDGCNHXJUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-5-4-11-6-7(12)10/h6-7H,4-5,10H2,1-3H3.
What are the key properties of tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 54384310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).