2-propan-2-yl-5-prop-2-ynoxypyrazine

C10H12N2O — CID 58448848

IUPAC2-propan-2-yl-5-prop-2-ynoxypyrazine
SMILESC#CCOc1cnc(C(C)C)cn1
InChIInChI=1S/C10H12N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h1,6-8H,5H2,2-3H3
InChIKeyLZBUNNCKAIVWRU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.61
Rot. Bonds3

About 2-propan-2-yl-5-prop-2-ynoxypyrazine

2-propan-2-yl-5-prop-2-ynoxypyrazine (PubChem CID 58448848) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-propan-2-yl-5-prop-2-ynoxypyrazine.

Molecular Properties

Compound Name2-propan-2-yl-5-prop-2-ynoxypyrazine
PubChem CID58448848
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-propan-2-yl-5-prop-2-ynoxypyrazine
SMILESC#CCOc1cnc(C(C)C)cn1
InChIInChI=1S/C10H12N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h1,6-8H,5H2,2-3H3
InChIKeyLZBUNNCKAIVWRU-UHFFFAOYSA-N
XLogP1.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-prop-2-ynoxypyrazine?
The IUPAC name of 2-propan-2-yl-5-prop-2-ynoxypyrazine (CID 58448848) is 2-propan-2-yl-5-prop-2-ynoxypyrazine.
What is the SMILES notation for 2-propan-2-yl-5-prop-2-ynoxypyrazine?
The canonical SMILES for 2-propan-2-yl-5-prop-2-ynoxypyrazine is C#CCOc1cnc(C(C)C)cn1.
What is the InChIKey of 2-propan-2-yl-5-prop-2-ynoxypyrazine?
The InChIKey is LZBUNNCKAIVWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-5-13-10-7-11-9(6-12-10)8(2)3/h1,6-8H,5H2,2-3H3.
What are the key properties of 2-propan-2-yl-5-prop-2-ynoxypyrazine?
2-propan-2-yl-5-prop-2-ynoxypyrazine has a molecular weight of 176.22 g/mol, XLogP of 1.61, 3 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-prop-2-ynoxypyrazine is sourced from PubChem (CID 58448848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).