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

Name: 1,3,8-tritert-butylimidazo[1,5-a]pyrazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₉N₃ — CID 58432951

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1,3,8-tritert-butylimidazo[1,5-a]pyrazine
PubChem CID	58432951
Molecular Formula	C₁₈H₂₉N₃
Molecular Weight	287.45 g/mol
Exact Mass	287.24
IUPAC Name	1,3,8-tritert-butylimidazo[1,5-a]pyrazine
SMILES	CC(C)(C)c1nccn2c(C(C)(C)C)nc(C(C)(C)C)c12
InChI	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
InChIKey	BPKKBECXIWAQKR-UHFFFAOYSA-N
XLogP	4.62
TPSA	30.19 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 58432951 — identifiers, structure, computed properties (public domain)

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