2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine

C13H17N3 — CID 118016297

IUPAC2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine
SMILESCc1cccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C13H17N3/c1-10-6-5-7-16(10)12-9-14-11(8-15-12)13(2,3)4/h5-9H,1-4H3
InChIKeyKCQWLGHBXRDHMB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.87
Rot. Bonds1

About 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine

2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine (PubChem CID 118016297) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine
PubChem CID118016297
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine
SMILESCc1cccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/C13H17N3/c1-10-6-5-7-16(10)12-9-14-11(8-15-12)13(2,3)4/h5-9H,1-4H3
InChIKeyKCQWLGHBXRDHMB-UHFFFAOYSA-N
XLogP2.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine?
The IUPAC name of 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine (CID 118016297) is 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine is Cc1cccn1-c1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine?
The InChIKey is KCQWLGHBXRDHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-6-5-7-16(10)12-9-14-11(8-15-12)13(2,3)4/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine?
2-tert-butyl-5-(2-methylpyrrol-1-yl)pyrazine has a molecular weight of 215.30 g/mol, XLogP of 2.87, 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-(2-methylpyrrol-1-yl)pyrazine is sourced from PubChem (CID 118016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).