7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine

C16H24N2 — CID 155403852

IUPAC7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine
SMILESCC(C)(C)C1=CC2=CN=CCN2C=C1C(C)(C)C
InChIInChI=1S/C16H24N2/c1-15(2,3)13-9-12-10-17-7-8-18(12)11-14(13)16(4,5)6/h7,9-11H,8H2,1-6H3
InChIKeyIYJYGABPACWKCS-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds

About 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine

7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine (PubChem CID 155403852) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine
PubChem CID155403852
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine
SMILESCC(C)(C)C1=CC2=CN=CCN2C=C1C(C)(C)C
InChIInChI=1S/C16H24N2/c1-15(2,3)13-9-12-10-17-7-8-18(12)11-14(13)16(4,5)6/h7,9-11H,8H2,1-6H3
InChIKeyIYJYGABPACWKCS-UHFFFAOYSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The IUPAC name of 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine (CID 155403852) is 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine is CC(C)(C)C1=CC2=CN=CCN2C=C1C(C)(C)C.
What is the InChIKey of 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The InChIKey is IYJYGABPACWKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)13-9-12-10-17-7-8-18(12)11-14(13)16(4,5)6/h7,9-11H,8H2,1-6H3.
What are the key properties of 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine has a molecular weight of 244.38 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 155403852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).