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

C9H16N2 — CID 59107827

IUPAC6-tert-butyl-3-methyl-1,2-dihydropyrazine
SMILESCC1=NC=C(C(C)(C)C)NC1
InChIInChI=1S/C9H16N2/c1-7-5-11-8(6-10-7)9(2,3)4/h6,11H,5H2,1-4H3
InChIKeyLJTFHFQIGKYBCD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds

About 6-tert-butyl-3-methyl-1,2-dihydropyrazine

6-tert-butyl-3-methyl-1,2-dihydropyrazine (PubChem CID 59107827) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1,2-dihydropyrazine
PubChem CID59107827
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-tert-butyl-3-methyl-1,2-dihydropyrazine
SMILESCC1=NC=C(C(C)(C)C)NC1
InChIInChI=1S/C9H16N2/c1-7-5-11-8(6-10-7)9(2,3)4/h6,11H,5H2,1-4H3
InChIKeyLJTFHFQIGKYBCD-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

5-Tert-butyl-3-methyl-1,2-dihydropyrazine
CID 57809055
2-tert-butyl-1H-pyrazine
CID 129168835
3-tert-butyl-1H-pyrazine
CID 129280001
6-Tert-butyl-2-methyl-1,2-dihydropyrazine
CID 132245291
(Z)-N-ethenyl-1-(ethylideneamino)-3,3-dimethylbut-1-en-2-amine
CID 137551002
6-Ethyl-3-methyl-1,2-dihydropyrazine
CID 138528142
3,6-Dimethyl-1,2-dihydropyrazine;ethane
CID 145642111
5-Tert-butyl-3-ethenyl-1,2-dihydropyrazine
CID 155371252
6-Ethyl-3-propan-2-yl-1,2-dihydropyrazine
CID 155469412
(Z)-2-(ethylideneamino)-N,3,3-trimethylbut-1-en-1-amine
CID 156415018
(Z)-N,3,3-trimethyl-1-(methylideneamino)but-1-en-2-amine
CID 156723370
6-Tert-butyl-1,2-dihydropyrazine
CID 163586991

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1,2-dihydropyrazine?
The IUPAC name of 6-tert-butyl-3-methyl-1,2-dihydropyrazine (CID 59107827) is 6-tert-butyl-3-methyl-1,2-dihydropyrazine.
What is the SMILES notation for 6-tert-butyl-3-methyl-1,2-dihydropyrazine?
The canonical SMILES for 6-tert-butyl-3-methyl-1,2-dihydropyrazine is CC1=NC=C(C(C)(C)C)NC1.
What is the InChIKey of 6-tert-butyl-3-methyl-1,2-dihydropyrazine?
The InChIKey is LJTFHFQIGKYBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-5-11-8(6-10-7)9(2,3)4/h6,11H,5H2,1-4H3.
What are the key properties of 6-tert-butyl-3-methyl-1,2-dihydropyrazine?
6-tert-butyl-3-methyl-1,2-dihydropyrazine has a molecular weight of 152.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1,2-dihydropyrazine is sourced from PubChem (CID 59107827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).