tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate

C11H15N3O2 — CID 69037458

IUPACtert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CN2CN=CC2=C1
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-10(15)13-4-5-14-8-12-6-9(14)7-13/h4-7H,8H2,1-3H3
InChIKeyYEVQIMDXBTVUDX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.89
Rot. Bonds

About tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 69037458) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID69037458
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nametert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C=CN2CN=CC2=C1
InChIInChI=1S/C11H15N3O2/c1-11(2,3)16-10(15)13-4-5-14-8-12-6-9(14)7-13/h4-7H,8H2,1-3H3
InChIKeyYEVQIMDXBTVUDX-UHFFFAOYSA-N
XLogP1.89
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 69037458) is tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1C=CN2CN=CC2=C1.
What is the InChIKey of tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YEVQIMDXBTVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2,3)16-10(15)13-4-5-14-8-12-6-9(14)7-13/h4-7H,8H2,1-3H3.
What are the key properties of tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 69037458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).