3-ethyl-N-pentan-3-ylpyrazin-2-amine

C11H19N3 — CID 23068427

IUPAC3-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nccnc1NC(CC)CC
InChIInChI=1S/C11H19N3/c1-4-9(5-2)14-11-10(6-3)12-7-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyBUXBHNNYCJXGKU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.64
Rot. Bonds5

About 3-ethyl-N-pentan-3-ylpyrazin-2-amine

3-ethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 23068427) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-ethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-ethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID23068427
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nccnc1NC(CC)CC
InChIInChI=1S/C11H19N3/c1-4-9(5-2)14-11-10(6-3)12-7-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyBUXBHNNYCJXGKU-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-ethyl-N-pentan-3-ylpyrazin-2-amine (CID 23068427) is 3-ethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-ethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-ethyl-N-pentan-3-ylpyrazin-2-amine is CCc1nccnc1NC(CC)CC.
What is the InChIKey of 3-ethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is BUXBHNNYCJXGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-9(5-2)14-11-10(6-3)12-7-8-13-11/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-ethyl-N-pentan-3-ylpyrazin-2-amine?
3-ethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 23068427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).