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

C16H30N2 — CID 170037448

IUPAC1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine
SMILESCC1=C(C)N(C(C)C)C(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C16H30N2/c1-10(2)15-16(11(3)4)18(12(5)6)14(8)13(7)17(15)9/h10-12H,1-9H3
InChIKeyMDCQNSQGOVJJOG-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.42
Rot. Bonds3

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

1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine (PubChem CID 170037448) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine.

Molecular Properties

Compound Name1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine
PubChem CID170037448
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine
SMILESCC1=C(C)N(C(C)C)C(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C16H30N2/c1-10(2)15-16(11(3)4)18(12(5)6)14(8)13(7)17(15)9/h10-12H,1-9H3
InChIKeyMDCQNSQGOVJJOG-UHFFFAOYSA-N
XLogP4.42
TPSA6.48 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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine?
The IUPAC name of 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine (CID 170037448) is 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine.
What is the SMILES notation for 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine?
The canonical SMILES for 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine is CC1=C(C)N(C(C)C)C(C(C)C)=C(C(C)C)N1C.
What is the InChIKey of 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine?
The InChIKey is MDCQNSQGOVJJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-10(2)15-16(11(3)4)18(12(5)6)14(8)13(7)17(15)9/h10-12H,1-9H3.
What are the key properties of 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine?
1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine has a molecular weight of 250.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4,5,6-tri(propan-2-yl)pyrazine is sourced from PubChem (CID 170037448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).