(5-amino-6-propan-2-ylpyrazin-2-yl) acetate

C9H13N3O2 — CID 123637859

IUPAC(5-amino-6-propan-2-ylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1cnc(N)c(C(C)C)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)8-9(10)11-4-7(12-8)14-6(3)13/h4-5H,1-3H3,(H2,10,11)
InChIKeyVZJZVPGXMBDBPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.11
Rot. Bonds2

About (5-amino-6-propan-2-ylpyrazin-2-yl) acetate

(5-amino-6-propan-2-ylpyrazin-2-yl) acetate (PubChem CID 123637859) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (5-amino-6-propan-2-ylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(5-amino-6-propan-2-ylpyrazin-2-yl) acetate
PubChem CID123637859
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(5-amino-6-propan-2-ylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1cnc(N)c(C(C)C)n1
InChIInChI=1S/C9H13N3O2/c1-5(2)8-9(10)11-4-7(12-8)14-6(3)13/h4-5H,1-3H3,(H2,10,11)
InChIKeyVZJZVPGXMBDBPQ-UHFFFAOYSA-N
XLogP1.11
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-6-propan-2-ylpyrazin-2-yl) acetate?
The IUPAC name of (5-amino-6-propan-2-ylpyrazin-2-yl) acetate (CID 123637859) is (5-amino-6-propan-2-ylpyrazin-2-yl) acetate.
What is the SMILES notation for (5-amino-6-propan-2-ylpyrazin-2-yl) acetate?
The canonical SMILES for (5-amino-6-propan-2-ylpyrazin-2-yl) acetate is CC(=O)Oc1cnc(N)c(C(C)C)n1.
What is the InChIKey of (5-amino-6-propan-2-ylpyrazin-2-yl) acetate?
The InChIKey is VZJZVPGXMBDBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)8-9(10)11-4-7(12-8)14-6(3)13/h4-5H,1-3H3,(H2,10,11).
What are the key properties of (5-amino-6-propan-2-ylpyrazin-2-yl) acetate?
(5-amino-6-propan-2-ylpyrazin-2-yl) acetate has a molecular weight of 195.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-propan-2-ylpyrazin-2-yl) acetate is sourced from PubChem (CID 123637859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).