2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine

C21H31N3 — CID 158715048

IUPAC2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine
SMILESCC(C)(C)c1cnc(C2CC2)cn1.Cc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H16N2.C10H15N/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-8-5-6-9(11-7-8)10(2,3)4/h6-8H,4-5H2,1-3H3;5-7H,1-4H3
InChIKeyIJEZHHUUSMFCLV-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.34
Rot. Bonds1

About 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine

2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine (PubChem CID 158715048) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine
PubChem CID158715048
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine
SMILESCC(C)(C)c1cnc(C2CC2)cn1.Cc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C11H16N2.C10H15N/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-8-5-6-9(11-7-8)10(2,3)4/h6-8H,4-5H2,1-3H3;5-7H,1-4H3
InChIKeyIJEZHHUUSMFCLV-UHFFFAOYSA-N
XLogP5.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-cyclopropylpyrazine
CID 90224246
2-cyclohexyl-5-methylpyridine
CID 83382376
2-cyclopropyl-5-methylpyrazine;ethane
CID 144646569
2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
CID 54260591
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
5-(azetidin-3-yl)-2-tert-butylpyridine
CID 162745774
5-methyl-2-(oxetan-3-yl)pyridine
CID 147825882
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
CID 121450458
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
1-[4-(5-methyl-2-pyridinyl)cyclohexyl]pyrrol-3-ol
CID 141093175
5-tert-butyl-2-cyclohexylpyridine
CID 58094026

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine?
The IUPAC name of 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine (CID 158715048) is 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine?
The canonical SMILES for 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine is CC(C)(C)c1cnc(C2CC2)cn1.Cc1ccc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine?
The InChIKey is IJEZHHUUSMFCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C10H15N/c1-11(2,3)10-7-12-9(6-13-10)8-4-5-8;1-8-5-6-9(11-7-8)10(2,3)4/h6-8H,4-5H2,1-3H3;5-7H,1-4H3.
What are the key properties of 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine?
2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine has a molecular weight of 325.50 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropylpyrazine;2-tert-butyl-5-methylpyridine is sourced from PubChem (CID 158715048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).