2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine

C16H30N2 — CID 170037449

IUPAC2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine
SMILESCC1=NC(C(C)C)=C(C(C)C)N(C(C)C)C1(C)C
InChIInChI=1S/C16H30N2/c1-10(2)14-15(11(3)4)18(12(5)6)16(8,9)13(7)17-14/h10-12H,1-9H3
InChIKeyGCYRBHYKJUWBDO-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.47
Rot. Bonds3

About 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine

2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine (PubChem CID 170037449) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine.

Molecular Properties

Compound Name2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine
PubChem CID170037449
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine
SMILESCC1=NC(C(C)C)=C(C(C)C)N(C(C)C)C1(C)C
InChIInChI=1S/C16H30N2/c1-10(2)14-15(11(3)4)18(12(5)6)16(8,9)13(7)17-14/h10-12H,1-9H3
InChIKeyGCYRBHYKJUWBDO-UHFFFAOYSA-N
XLogP4.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine?
The IUPAC name of 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine (CID 170037449) is 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine.
What is the SMILES notation for 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine?
The canonical SMILES for 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine is CC1=NC(C(C)C)=C(C(C)C)N(C(C)C)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine?
The InChIKey is GCYRBHYKJUWBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-10(2)14-15(11(3)4)18(12(5)6)16(8,9)13(7)17-14/h10-12H,1-9H3.
What are the key properties of 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine?
2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine has a molecular weight of 250.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1,5,6-tri(propan-2-yl)pyrazine is sourced from PubChem (CID 170037449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).