2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine

C12H19ClN2 — CID 11694287

IUPAC2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine
SMILESCCC(C)c1ncc(CC(C)C)nc1Cl
InChIInChI=1S/C12H19ClN2/c1-5-9(4)11-12(13)15-10(7-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPHVANXGTOKAXKP-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.84
Rot. Bonds4

About 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine

2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine (PubChem CID 11694287) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine.

Molecular Properties

Compound Name2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine
PubChem CID11694287
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine
SMILESCCC(C)c1ncc(CC(C)C)nc1Cl
InChIInChI=1S/C12H19ClN2/c1-5-9(4)11-12(13)15-10(7-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyPHVANXGTOKAXKP-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine?
The IUPAC name of 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine (CID 11694287) is 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine.
What is the SMILES notation for 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine?
The canonical SMILES for 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine is CCC(C)c1ncc(CC(C)C)nc1Cl.
What is the InChIKey of 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine?
The InChIKey is PHVANXGTOKAXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-5-9(4)11-12(13)15-10(7-14-11)6-8(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine?
2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine has a molecular weight of 226.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-chloro-5-(2-methylpropyl)pyrazine is sourced from PubChem (CID 11694287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).