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

C16H24N2 — CID 155649403

IUPAC8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CN=CCN2C=C1
InChIInChI=1S/C16H24N2/c1-15(2,3)12-7-9-18-10-8-17-11-13(18)14(12)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyPUCOXQYSBCPQIH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds

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

8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine (PubChem CID 155649403) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine
PubChem CID155649403
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CN=CCN2C=C1
InChIInChI=1S/C16H24N2/c1-15(2,3)12-7-9-18-10-8-17-11-13(18)14(12)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyPUCOXQYSBCPQIH-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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Related Compounds

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4-Ethenyl-3,3-diethyl-1-ethylidene-2,6-dimethylidenepyridin-1-ium
CID 123723166
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane
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CID 143866555
5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine
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9-tert-butyl-8-ethyl-4H-pyrido[1,2-a]pyrazine
CID 155403599
7,8-ditert-butyl-4H-pyrido[1,2-a]pyrazine
CID 155403852
2,3-ditert-butyl-4H-quinolizine
CID 155649439
2-ethyl-1-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyrazine
CID 156424023
6-methyl-4,5-dihydro-3H-1,6-naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The IUPAC name of 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine (CID 155649403) is 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine is CC(C)(C)C1=C(C(C)(C)C)C2=CN=CCN2C=C1.
What is the InChIKey of 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
The InChIKey is PUCOXQYSBCPQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)12-7-9-18-10-8-17-11-13(18)14(12)16(4,5)6/h7-9,11H,10H2,1-6H3.
What are the key properties of 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine?
8,9-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 8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 155649403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).