1-tert-butyl-4-methyl-2,3-dihydropyrazine

C9H18N2 — CID 135141974

IUPAC1-tert-butyl-4-methyl-2,3-dihydropyrazine
SMILESCN1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C9H18N2/c1-9(2,3)11-7-5-10(4)6-8-11/h5,7H,6,8H2,1-4H3
InChIKeyKVZHODYCDKZXKY-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.50
Rot. Bonds

About 1-tert-butyl-4-methyl-2,3-dihydropyrazine

1-tert-butyl-4-methyl-2,3-dihydropyrazine (PubChem CID 135141974) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2,3-dihydropyrazine
PubChem CID135141974
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-tert-butyl-4-methyl-2,3-dihydropyrazine
SMILESCN1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C9H18N2/c1-9(2,3)11-7-5-10(4)6-8-11/h5,7H,6,8H2,1-4H3
InChIKeyKVZHODYCDKZXKY-UHFFFAOYSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2,3-dihydropyrazine?
The IUPAC name of 1-tert-butyl-4-methyl-2,3-dihydropyrazine (CID 135141974) is 1-tert-butyl-4-methyl-2,3-dihydropyrazine.
What is the SMILES notation for 1-tert-butyl-4-methyl-2,3-dihydropyrazine?
The canonical SMILES for 1-tert-butyl-4-methyl-2,3-dihydropyrazine is CN1C=CN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-2,3-dihydropyrazine?
The InChIKey is KVZHODYCDKZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)11-7-5-10(4)6-8-11/h5,7H,6,8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-2,3-dihydropyrazine?
1-tert-butyl-4-methyl-2,3-dihydropyrazine has a molecular weight of 154.26 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-2,3-dihydropyrazine is sourced from PubChem (CID 135141974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).