2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine

C21H31N5 — CID 158329742

IUPAC2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1
InChIInChI=1S/C8H11N.C7H10N2.C6H10N2/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyGPVYQCMUARWYPA-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.34
Rot. Bonds3

About 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine

2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine (PubChem CID 158329742) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine.

Molecular Properties

Compound Name2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
PubChem CID158329742
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1
InChIInChI=1S/C8H11N.C7H10N2.C6H10N2/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyGPVYQCMUARWYPA-UHFFFAOYSA-N
XLogP5.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 167622722

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine?
The IUPAC name of 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine (CID 158329742) is 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine.
What is the SMILES notation for 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine?
The canonical SMILES for 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine is CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.
What is the InChIKey of 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine?
The InChIKey is GPVYQCMUARWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H10N2.C6H10N2/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-5(2)6-3-4-7-8-6/h3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine?
2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine has a molecular weight of 353.51 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine is sourced from PubChem (CID 158329742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).