[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate

C13H16N2O3 — CID 174767542

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C13H16N2O3/c1-8(16)18-11-6-14-12(10-4-5-10)13(15-11)17-7-9-2-3-9/h6,9-10H,2-5,7H2,1H3
InChIKeyMICXYAAMKUIMBM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.07
Rot. Bonds5

About [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate

[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate (PubChem CID 174767542) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate
PubChem CID174767542
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate
SMILESCC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C13H16N2O3/c1-8(16)18-11-6-14-12(10-4-5-10)13(15-11)17-7-9-2-3-9/h6,9-10H,2-5,7H2,1H3
InChIKeyMICXYAAMKUIMBM-UHFFFAOYSA-N
XLogP2.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate (CID 174767542) is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate is CC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate?
The InChIKey is MICXYAAMKUIMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(16)18-11-6-14-12(10-4-5-10)13(15-11)17-7-9-2-3-9/h6,9-10H,2-5,7H2,1H3.
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate?
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate has a molecular weight of 248.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] acetate is sourced from PubChem (CID 174767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).