2,5-di(butan-2-yl)-2,5-dihydropyrazine

C12H22N2 — CID 139215266

IUPAC2,5-di(butan-2-yl)-2,5-dihydropyrazine
SMILESCCC(C)C1C=NC(C(C)CC)C=N1
InChIInChI=1S/C12H22N2/c1-5-9(3)11-7-14-12(8-13-11)10(4)6-2/h7-12H,5-6H2,1-4H3
InChIKeyCWXZINNYIDOOSZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.97
Rot. Bonds4

About 2,5-di(butan-2-yl)-2,5-dihydropyrazine

2,5-di(butan-2-yl)-2,5-dihydropyrazine (PubChem CID 139215266) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,5-di(butan-2-yl)-2,5-dihydropyrazine.

Molecular Properties

Compound Name2,5-di(butan-2-yl)-2,5-dihydropyrazine
PubChem CID139215266
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,5-di(butan-2-yl)-2,5-dihydropyrazine
SMILESCCC(C)C1C=NC(C(C)CC)C=N1
InChIInChI=1S/C12H22N2/c1-5-9(3)11-7-14-12(8-13-11)10(4)6-2/h7-12H,5-6H2,1-4H3
InChIKeyCWXZINNYIDOOSZ-UHFFFAOYSA-N
XLogP2.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-di(butan-2-yl)-2,5-dihydropyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yl-2,5-dihydro-1H-imidazole
CID 20632606
3-butan-2-yl-1-methylcyclopropene
CID 123179212
(1R)-3-butan-2-yl-1,2,2-trimethylcyclopropan-1-amine
CID 155472573
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
(2R,3R)-2,3-dichloropentane
CID 6431009
bis(3-methanidylpentane);tungsten(2+)
CID 58814797
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
4-butan-2-yltriazetidine
CID 130056510
hexan-2-yl(trimethyl)silane
CID 12712779
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
CID 163706174
3-butan-2-yl-5-methylcyclopentene
CID 143604175

Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yl)-2,5-dihydropyrazine?
The IUPAC name of 2,5-di(butan-2-yl)-2,5-dihydropyrazine (CID 139215266) is 2,5-di(butan-2-yl)-2,5-dihydropyrazine.
What is the SMILES notation for 2,5-di(butan-2-yl)-2,5-dihydropyrazine?
The canonical SMILES for 2,5-di(butan-2-yl)-2,5-dihydropyrazine is CCC(C)C1C=NC(C(C)CC)C=N1.
What is the InChIKey of 2,5-di(butan-2-yl)-2,5-dihydropyrazine?
The InChIKey is CWXZINNYIDOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-9(3)11-7-14-12(8-13-11)10(4)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 2,5-di(butan-2-yl)-2,5-dihydropyrazine?
2,5-di(butan-2-yl)-2,5-dihydropyrazine has a molecular weight of 194.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yl)-2,5-dihydropyrazine is sourced from PubChem (CID 139215266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).