3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine

C16H25N3 — CID 66804793

IUPAC3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine
SMILESCCc1nc(C(C)(C)C)n2ccnc(C(C)(C)C)c12
InChIInChI=1S/C16H25N3/c1-8-11-12-13(15(2,3)4)17-9-10-19(12)14(18-11)16(5,6)7/h9-10H,8H2,1-7H3
InChIKeyYGGOUEZUDJJZEE-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.89
Rot. Bonds1

About 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine

3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine (PubChem CID 66804793) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine
PubChem CID66804793
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine
SMILESCCc1nc(C(C)(C)C)n2ccnc(C(C)(C)C)c12
InChIInChI=1S/C16H25N3/c1-8-11-12-13(15(2,3)4)17-9-10-19(12)14(18-11)16(5,6)7/h9-10H,8H2,1-7H3
InChIKeyYGGOUEZUDJJZEE-UHFFFAOYSA-N
XLogP3.89
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine 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-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
6-cyclopropyl-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 72916098
1-Isopropyl-4-[5-(trifluoromethyl)imidazo[1,2-A]pyrimidin-7-YL]piperidine
CID 95826739
2,4-Dimethyl-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97515567
7-(1-Methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 118740384
1-tert-butyl-N,N-dimethylimidazo[1,5-a]pyrazine-3-carboxamide
CID 134787988
Sdccgsbi-0662767.P001
CID 134790895
5,7-Di(propan-2-yl)imidazo[1,2-a]pyrimidine
CID 168339361
4-cyclobutyl-N,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
CID 56863129
7-Tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 57813875

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine?
The IUPAC name of 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine (CID 66804793) is 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine?
The canonical SMILES for 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine is CCc1nc(C(C)(C)C)n2ccnc(C(C)(C)C)c12.
What is the InChIKey of 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine?
The InChIKey is YGGOUEZUDJJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-8-11-12-13(15(2,3)4)17-9-10-19(12)14(18-11)16(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine?
3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine has a molecular weight of 259.40 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-1-ethylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 66804793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).