3-cyclopropyl-5-ethoxypyrazin-2-amine

C9H13N3O — CID 123448438

IUPAC3-cyclopropyl-5-ethoxypyrazin-2-amine
SMILESCCOc1cnc(N)c(C2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-13-7-5-11-9(10)8(12-7)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyLEZZNVYPCOFNQU-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About 3-cyclopropyl-5-ethoxypyrazin-2-amine

3-cyclopropyl-5-ethoxypyrazin-2-amine (PubChem CID 123448438) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-cyclopropyl-5-ethoxypyrazin-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-ethoxypyrazin-2-amine
PubChem CID123448438
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-cyclopropyl-5-ethoxypyrazin-2-amine
SMILESCCOc1cnc(N)c(C2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-13-7-5-11-9(10)8(12-7)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11)
InChIKeyLEZZNVYPCOFNQU-UHFFFAOYSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-ethoxypyrazin-2-amine?
The IUPAC name of 3-cyclopropyl-5-ethoxypyrazin-2-amine (CID 123448438) is 3-cyclopropyl-5-ethoxypyrazin-2-amine.
What is the SMILES notation for 3-cyclopropyl-5-ethoxypyrazin-2-amine?
The canonical SMILES for 3-cyclopropyl-5-ethoxypyrazin-2-amine is CCOc1cnc(N)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-ethoxypyrazin-2-amine?
The InChIKey is LEZZNVYPCOFNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-13-7-5-11-9(10)8(12-7)6-3-4-6/h5-6H,2-4H2,1H3,(H2,10,11).
What are the key properties of 3-cyclopropyl-5-ethoxypyrazin-2-amine?
3-cyclopropyl-5-ethoxypyrazin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-ethoxypyrazin-2-amine is sourced from PubChem (CID 123448438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).