2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine

C82H107N27 — CID 160812297

IUPAC2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
SMILESCC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2cccn2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.Cc1ccn(-c2cnc(C(C)(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/4C12H16N4.C12H15N3.2C11H14N4/c1-9-7-16(8-15-9)11-6-13-10(5-14-11)12(2,3)4;1-9-5-15-16(8-9)11-7-13-10(6-14-11)12(2,3)4;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-9-5-6-16(15-9)11-8-13-10(7-14-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15;1-11(2,3)9-7-13-10(8-12-9)15-6-4-5-14-15/h4*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3
InChIKeySELLHOPEYOHQMS-UHFFFAOYSA-N
MW1470.95 g/mol
LogP15.56
Rot. Bonds7

About 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine

2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine (PubChem CID 160812297) has the molecular formula C82H107N27 and a molecular weight of 1470.95 g/mol. Its IUPAC name is 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
PubChem CID160812297
Molecular FormulaC82H107N27
Molecular Weight1470.95 g/mol
Exact Mass1469.92
IUPAC Name2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
SMILESCC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2cccn2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.Cc1ccn(-c2cnc(C(C)(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/4C12H16N4.C12H15N3.2C11H14N4/c1-9-7-16(8-15-9)11-6-13-10(5-14-11)12(2,3)4;1-9-5-15-16(8-9)11-7-13-10(6-14-11)12(2,3)4;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-9-5-6-16(15-9)11-8-13-10(7-14-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15;1-11(2,3)9-7-13-10(8-12-9)15-6-4-5-14-15/h4*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3
InChIKeySELLHOPEYOHQMS-UHFFFAOYSA-N
XLogP15.56
TPSA292.31 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds7
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.95
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine?
The IUPAC name of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine (CID 160812297) is 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine.
What is the SMILES notation for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine?
The canonical SMILES for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine is CC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2cccn2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.Cc1ccn(-c2cnc(C(C)(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine?
The InChIKey is SELLHOPEYOHQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H16N4.C12H15N3.2C11H14N4/c1-9-7-16(8-15-9)11-6-13-10(5-14-11)12(2,3)4;1-9-5-15-16(8-9)11-7-13-10(6-14-11)12(2,3)4;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-9-5-6-16(15-9)11-8-13-10(7-14-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15;1-11(2,3)9-7-13-10(8-12-9)15-6-4-5-14-15/h4*5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine?
2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine has a molecular weight of 1470.95 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine is sourced from PubChem (CID 160812297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).