1,2,3-trimethyl-5-propyl-2H-pyrazine

C10H18N2 — CID 123522565

IUPAC1,2,3-trimethyl-5-propyl-2H-pyrazine
SMILESCCCC1=CN(C)C(C)C(C)=N1
InChIInChI=1S/C10H18N2/c1-5-6-10-7-12(4)9(3)8(2)11-10/h7,9H,5-6H2,1-4H3
InChIKeyXHCKDSFDDGVWLE-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds2

About 1,2,3-trimethyl-5-propyl-2H-pyrazine

1,2,3-trimethyl-5-propyl-2H-pyrazine (PubChem CID 123522565) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-propyl-2H-pyrazine.

Molecular Properties

Compound Name1,2,3-trimethyl-5-propyl-2H-pyrazine
PubChem CID123522565
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2,3-trimethyl-5-propyl-2H-pyrazine
SMILESCCCC1=CN(C)C(C)C(C)=N1
InChIInChI=1S/C10H18N2/c1-5-6-10-7-12(4)9(3)8(2)11-10/h7,9H,5-6H2,1-4H3
InChIKeyXHCKDSFDDGVWLE-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
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-5-propyl-2H-pyrazine?
The IUPAC name of 1,2,3-trimethyl-5-propyl-2H-pyrazine (CID 123522565) is 1,2,3-trimethyl-5-propyl-2H-pyrazine.
What is the SMILES notation for 1,2,3-trimethyl-5-propyl-2H-pyrazine?
The canonical SMILES for 1,2,3-trimethyl-5-propyl-2H-pyrazine is CCCC1=CN(C)C(C)C(C)=N1.
What is the InChIKey of 1,2,3-trimethyl-5-propyl-2H-pyrazine?
The InChIKey is XHCKDSFDDGVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-10-7-12(4)9(3)8(2)11-10/h7,9H,5-6H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-5-propyl-2H-pyrazine?
1,2,3-trimethyl-5-propyl-2H-pyrazine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-propyl-2H-pyrazine is sourced from PubChem (CID 123522565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).