5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine

C14H21N3 — CID 174196547

IUPAC5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine
SMILESCCn1cc(C(C)C)c2nc(C(C)C)cnc21
InChIInChI=1S/C14H21N3/c1-6-17-8-11(9(2)3)13-14(17)15-7-12(16-13)10(4)5/h7-10H,6H2,1-5H3
InChIKeyNMZBAFQJRGMWSN-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.70
Rot. Bonds3

About 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine

5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine (PubChem CID 174196547) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine
PubChem CID174196547
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine
SMILESCCn1cc(C(C)C)c2nc(C(C)C)cnc21
InChIInChI=1S/C14H21N3/c1-6-17-8-11(9(2)3)13-14(17)15-7-12(16-13)10(4)5/h7-10H,6H2,1-5H3
InChIKeyNMZBAFQJRGMWSN-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine (CID 174196547) is 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine is CCn1cc(C(C)C)c2nc(C(C)C)cnc21.
What is the InChIKey of 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine?
The InChIKey is NMZBAFQJRGMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-17-8-11(9(2)3)13-14(17)15-7-12(16-13)10(4)5/h7-10H,6H2,1-5H3.
What are the key properties of 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine?
5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine has a molecular weight of 231.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,7-di(propan-2-yl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 174196547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).