6-(3-methylbutyl)-1,2-dihydropyrazine

C9H16N2 — CID 121383169

IUPAC6-(3-methylbutyl)-1,2-dihydropyrazine
SMILESCC(C)CCC1=CN=CCN1
InChIInChI=1S/C9H16N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeySRQRAPJDMUXFDH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds3

About 6-(3-methylbutyl)-1,2-dihydropyrazine

6-(3-methylbutyl)-1,2-dihydropyrazine (PubChem CID 121383169) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(3-methylbutyl)-1,2-dihydropyrazine.

Molecular Properties

Compound Name6-(3-methylbutyl)-1,2-dihydropyrazine
PubChem CID121383169
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-(3-methylbutyl)-1,2-dihydropyrazine
SMILESCC(C)CCC1=CN=CCN1
InChIInChI=1S/C9H16N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5,7-8,11H,3-4,6H2,1-2H3
InChIKeySRQRAPJDMUXFDH-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-1,2-dihydropyrazine?
The IUPAC name of 6-(3-methylbutyl)-1,2-dihydropyrazine (CID 121383169) is 6-(3-methylbutyl)-1,2-dihydropyrazine.
What is the SMILES notation for 6-(3-methylbutyl)-1,2-dihydropyrazine?
The canonical SMILES for 6-(3-methylbutyl)-1,2-dihydropyrazine is CC(C)CCC1=CN=CCN1.
What is the InChIKey of 6-(3-methylbutyl)-1,2-dihydropyrazine?
The InChIKey is SRQRAPJDMUXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5,7-8,11H,3-4,6H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-1,2-dihydropyrazine?
6-(3-methylbutyl)-1,2-dihydropyrazine has a molecular weight of 152.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-1,2-dihydropyrazine is sourced from PubChem (CID 121383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).