1,3,8-tritert-butylimidazo[1,5-a]pyrazine

C18H29N3 — CID 58432951

IUPAC1,3,8-tritert-butylimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nccn2c(C(C)(C)C)nc(C(C)(C)C)c12
InChIInChI=1S/C18H29N3/c1-16(2,3)13-12-14(17(4,5)6)20-15(18(7,8)9)21(12)11-10-19-13/h10-11H,1-9H3
InChIKeyBPKKBECXIWAQKR-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.62
Rot. Bonds

About 1,3,8-tritert-butylimidazo[1,5-a]pyrazine

1,3,8-tritert-butylimidazo[1,5-a]pyrazine (PubChem CID 58432951) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1,3,8-tritert-butylimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1,3,8-tritert-butylimidazo[1,5-a]pyrazine
PubChem CID58432951
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1,3,8-tritert-butylimidazo[1,5-a]pyrazine
SMILESCC(C)(C)c1nccn2c(C(C)(C)C)nc(C(C)(C)C)c12
InChIInChI=1S/C18H29N3/c1-16(2,3)13-12-14(17(4,5)6)20-15(18(7,8)9)21(12)11-10-19-13/h10-11H,1-9H3
InChIKeyBPKKBECXIWAQKR-UHFFFAOYSA-N
XLogP4.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-tritert-butylimidazo[1,5-a]pyrazine?
The IUPAC name of 1,3,8-tritert-butylimidazo[1,5-a]pyrazine (CID 58432951) is 1,3,8-tritert-butylimidazo[1,5-a]pyrazine.
What is the SMILES notation for 1,3,8-tritert-butylimidazo[1,5-a]pyrazine?
The canonical SMILES for 1,3,8-tritert-butylimidazo[1,5-a]pyrazine is CC(C)(C)c1nccn2c(C(C)(C)C)nc(C(C)(C)C)c12.
What is the InChIKey of 1,3,8-tritert-butylimidazo[1,5-a]pyrazine?
The InChIKey is BPKKBECXIWAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-16(2,3)13-12-14(17(4,5)6)20-15(18(7,8)9)21(12)11-10-19-13/h10-11H,1-9H3.
What are the key properties of 1,3,8-tritert-butylimidazo[1,5-a]pyrazine?
1,3,8-tritert-butylimidazo[1,5-a]pyrazine has a molecular weight of 287.45 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-tritert-butylimidazo[1,5-a]pyrazine is sourced from PubChem (CID 58432951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).