9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine

C14H20N2 — CID 155403599

IUPAC9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine
SMILESCCC1=C(C(C)(C)C)C2=CN=CCN2C=C1
InChIInChI=1S/C14H20N2/c1-5-11-6-8-16-9-7-15-10-12(16)13(11)14(2,3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyGMVRCZADKHTKSP-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.49
Rot. Bonds1

About 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine

9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine (PubChem CID 155403599) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine
PubChem CID155403599
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine
SMILESCCC1=C(C(C)(C)C)C2=CN=CCN2C=C1
InChIInChI=1S/C14H20N2/c1-5-11-6-8-16-9-7-15-10-12(16)13(11)14(2,3)4/h6-8,10H,5,9H2,1-4H3
InChIKeyGMVRCZADKHTKSP-UHFFFAOYSA-N
XLogP3.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine?
The IUPAC name of 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine (CID 155403599) is 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine is CCC1=C(C(C)(C)C)C2=CN=CCN2C=C1.
What is the InChIKey of 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine?
The InChIKey is GMVRCZADKHTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-11-6-8-16-9-7-15-10-12(16)13(11)14(2,3)4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine?
9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine has a molecular weight of 216.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 155403599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).