2-propan-2-yl-5-propoxypyrazine

C10H16N2O — CID 58448449

IUPAC2-propan-2-yl-5-propoxypyrazine
SMILESCCCOc1cnc(C(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyBVVABLCKUGIIFT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.39
Rot. Bonds4

About 2-propan-2-yl-5-propoxypyrazine

2-propan-2-yl-5-propoxypyrazine (PubChem CID 58448449) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-propan-2-yl-5-propoxypyrazine.

Molecular Properties

Compound Name2-propan-2-yl-5-propoxypyrazine
PubChem CID58448449
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-propan-2-yl-5-propoxypyrazine
SMILESCCCOc1cnc(C(C)C)cn1
InChIInChI=1S/C10H16N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyBVVABLCKUGIIFT-UHFFFAOYSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propoxypyrazine?
The IUPAC name of 2-propan-2-yl-5-propoxypyrazine (CID 58448449) is 2-propan-2-yl-5-propoxypyrazine.
What is the SMILES notation for 2-propan-2-yl-5-propoxypyrazine?
The canonical SMILES for 2-propan-2-yl-5-propoxypyrazine is CCCOc1cnc(C(C)C)cn1.
What is the InChIKey of 2-propan-2-yl-5-propoxypyrazine?
The InChIKey is BVVABLCKUGIIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propoxypyrazine?
2-propan-2-yl-5-propoxypyrazine has a molecular weight of 180.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propoxypyrazine is sourced from PubChem (CID 58448449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).