(5-propan-2-ylpyrazin-2-yl) formate

C8H10N2O2 — CID 126551955

IUPAC(5-propan-2-ylpyrazin-2-yl) formate
SMILESCC(C)c1cnc(OC=O)cn1
InChIInChI=1S/C8H10N2O2/c1-6(2)7-3-10-8(4-9-7)12-5-11/h3-6H,1-2H3
InChIKeyDVBODZJFKOBMNE-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.14
Rot. Bonds3

About (5-propan-2-ylpyrazin-2-yl) formate

(5-propan-2-ylpyrazin-2-yl) formate (PubChem CID 126551955) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (5-propan-2-ylpyrazin-2-yl) formate.

Molecular Properties

Compound Name(5-propan-2-ylpyrazin-2-yl) formate
PubChem CID126551955
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(5-propan-2-ylpyrazin-2-yl) formate
SMILESCC(C)c1cnc(OC=O)cn1
InChIInChI=1S/C8H10N2O2/c1-6(2)7-3-10-8(4-9-7)12-5-11/h3-6H,1-2H3
InChIKeyDVBODZJFKOBMNE-UHFFFAOYSA-N
XLogP1.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-ylpyrazin-2-yl) formate?
The IUPAC name of (5-propan-2-ylpyrazin-2-yl) formate (CID 126551955) is (5-propan-2-ylpyrazin-2-yl) formate.
What is the SMILES notation for (5-propan-2-ylpyrazin-2-yl) formate?
The canonical SMILES for (5-propan-2-ylpyrazin-2-yl) formate is CC(C)c1cnc(OC=O)cn1.
What is the InChIKey of (5-propan-2-ylpyrazin-2-yl) formate?
The InChIKey is DVBODZJFKOBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(2)7-3-10-8(4-9-7)12-5-11/h3-6H,1-2H3.
What are the key properties of (5-propan-2-ylpyrazin-2-yl) formate?
(5-propan-2-ylpyrazin-2-yl) formate has a molecular weight of 166.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-ylpyrazin-2-yl) formate is sourced from PubChem (CID 126551955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).