3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine

C12H17N5 — CID 112559405

IUPAC3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cncn1CC
InChIInChI=1S/C12H17N5/c1-3-5-15-12-11(14-6-7-16-12)10-8-13-9-17(10)4-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyZHEBDALTHNWXKO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds5

About 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine

3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine (PubChem CID 112559405) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine
PubChem CID112559405
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1cncn1CC
InChIInChI=1S/C12H17N5/c1-3-5-15-12-11(14-6-7-16-12)10-8-13-9-17(10)4-2/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyZHEBDALTHNWXKO-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine (CID 112559405) is 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1cncn1CC.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine?
The InChIKey is ZHEBDALTHNWXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-5-15-12-11(14-6-7-16-12)10-8-13-9-17(10)4-2/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine?
3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazol-4-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 112559405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).