5-tert-butyl-3-chloro-2-propan-2-ylpyrazine

C11H17ClN2 — CID 154964886

IUPAC5-tert-butyl-3-chloro-2-propan-2-ylpyrazine
SMILESCC(C)c1ncc(C(C)(C)C)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-7(2)9-10(12)14-8(6-13-9)11(3,4)5/h6-7H,1-5H3
InChIKeyDCTCERCTPQDNOT-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.55
Rot. Bonds1

About 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine

5-tert-butyl-3-chloro-2-propan-2-ylpyrazine (PubChem CID 154964886) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-propan-2-ylpyrazine
PubChem CID154964886
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-tert-butyl-3-chloro-2-propan-2-ylpyrazine
SMILESCC(C)c1ncc(C(C)(C)C)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-7(2)9-10(12)14-8(6-13-9)11(3,4)5/h6-7H,1-5H3
InChIKeyDCTCERCTPQDNOT-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine?
The IUPAC name of 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine (CID 154964886) is 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine?
The canonical SMILES for 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine is CC(C)c1ncc(C(C)(C)C)nc1Cl.
What is the InChIKey of 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine?
The InChIKey is DCTCERCTPQDNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-7(2)9-10(12)14-8(6-13-9)11(3,4)5/h6-7H,1-5H3.
What are the key properties of 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine?
5-tert-butyl-3-chloro-2-propan-2-ylpyrazine has a molecular weight of 212.72 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-propan-2-ylpyrazine is sourced from PubChem (CID 154964886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).