1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C13H23N3 — CID 138649460

IUPAC1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2cnc(C(C)(C)C)c2C1
InChIInChI=1S/C13H23N3/c1-10(2)15-6-7-16-9-14-12(11(16)8-15)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyLQBSBKVGYWBCSQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds1

About 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 138649460) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID138649460
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1CCn2cnc(C(C)(C)C)c2C1
InChIInChI=1S/C13H23N3/c1-10(2)15-6-7-16-9-14-12(11(16)8-15)13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyLQBSBKVGYWBCSQ-UHFFFAOYSA-N
XLogP2.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 138649460) is 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)N1CCn2cnc(C(C)(C)C)c2C1.
What is the InChIKey of 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is LQBSBKVGYWBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)15-6-7-16-9-14-12(11(16)8-15)13(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 221.35 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 138649460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).