[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate

C10H15N3O2 — CID 174674943

IUPAC[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(CC(C)C)cnc1N
InChIInChI=1S/C10H15N3O2/c1-6(2)4-8-5-12-9(11)10(13-8)15-7(3)14/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeySFWJCDAGUYXYFW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds3

About [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate

[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate (PubChem CID 174674943) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate.

Molecular Properties

Compound Name[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate
PubChem CID174674943
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1nc(CC(C)C)cnc1N
InChIInChI=1S/C10H15N3O2/c1-6(2)4-8-5-12-9(11)10(13-8)15-7(3)14/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeySFWJCDAGUYXYFW-UHFFFAOYSA-N
XLogP1.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate?
The IUPAC name of [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate (CID 174674943) is [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate.
What is the SMILES notation for [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate?
The canonical SMILES for [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate is CC(=O)Oc1nc(CC(C)C)cnc1N.
What is the InChIKey of [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate?
The InChIKey is SFWJCDAGUYXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)4-8-5-12-9(11)10(13-8)15-7(3)14/h5-6H,4H2,1-3H3,(H2,11,12).
What are the key properties of [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate?
[3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate has a molecular weight of 209.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-methylpropyl)pyrazin-2-yl] acetate is sourced from PubChem (CID 174674943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).