1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine

C18H36N2 — CID 170037419

IUPAC1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)C(C)(C)C(C)(C)N1C
InChIInChI=1S/C18H36N2/c1-12(2)15-16(13(3)4)20(14(5)6)18(9,10)17(7,8)19(15)11/h12-14H,1-11H3
InChIKeyQPSYVRRROFGDNK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.72
Rot. Bonds3

About 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine

1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine (PubChem CID 170037419) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine.

Molecular Properties

Compound Name1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine
PubChem CID170037419
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine
SMILESCC(C)C1=C(C(C)C)N(C(C)C)C(C)(C)C(C)(C)N1C
InChIInChI=1S/C18H36N2/c1-12(2)15-16(13(3)4)20(14(5)6)18(9,10)17(7,8)19(15)11/h12-14H,1-11H3
InChIKeyQPSYVRRROFGDNK-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine?
The IUPAC name of 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine (CID 170037419) is 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine.
What is the SMILES notation for 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine?
The canonical SMILES for 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine is CC(C)C1=C(C(C)C)N(C(C)C)C(C)(C)C(C)(C)N1C.
What is the InChIKey of 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine?
The InChIKey is QPSYVRRROFGDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-12(2)15-16(13(3)4)20(14(5)6)18(9,10)17(7,8)19(15)11/h12-14H,1-11H3.
What are the key properties of 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine?
1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine has a molecular weight of 280.50 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentamethyl-4,5,6-tri(propan-2-yl)pyrazine is sourced from PubChem (CID 170037419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).