6-cyclopropyl-5-ethoxypyrazin-2-amine

C9H13N3O — CID 123662506

IUPAC6-cyclopropyl-5-ethoxypyrazin-2-amine
SMILESCCOc1ncc(N)nc1C1CC1
InChIInChI=1S/C9H13N3O/c1-2-13-9-8(6-3-4-6)12-7(10)5-11-9/h5-6H,2-4H2,1H3,(H2,10,12)
InChIKeyDUKBJXGYUCWDGP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About 6-cyclopropyl-5-ethoxypyrazin-2-amine

6-cyclopropyl-5-ethoxypyrazin-2-amine (PubChem CID 123662506) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-cyclopropyl-5-ethoxypyrazin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-ethoxypyrazin-2-amine
PubChem CID123662506
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-cyclopropyl-5-ethoxypyrazin-2-amine
SMILESCCOc1ncc(N)nc1C1CC1
InChIInChI=1S/C9H13N3O/c1-2-13-9-8(6-3-4-6)12-7(10)5-11-9/h5-6H,2-4H2,1H3,(H2,10,12)
InChIKeyDUKBJXGYUCWDGP-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 6-cyclopropyl-5-ethoxypyrazin-2-amine?
The IUPAC name of 6-cyclopropyl-5-ethoxypyrazin-2-amine (CID 123662506) is 6-cyclopropyl-5-ethoxypyrazin-2-amine.
What is the SMILES notation for 6-cyclopropyl-5-ethoxypyrazin-2-amine?
The canonical SMILES for 6-cyclopropyl-5-ethoxypyrazin-2-amine is CCOc1ncc(N)nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-ethoxypyrazin-2-amine?
The InChIKey is DUKBJXGYUCWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-13-9-8(6-3-4-6)12-7(10)5-11-9/h5-6H,2-4H2,1H3,(H2,10,12).
What are the key properties of 6-cyclopropyl-5-ethoxypyrazin-2-amine?
6-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 6-cyclopropyl-5-ethoxypyrazin-2-amine is sourced from PubChem (CID 123662506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).