propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C10H14BrN3O2 — CID 154728413

IUPACpropan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)OC(=O)N1CCn2c(cnc2Br)C1
InChIInChI=1S/C10H14BrN3O2/c1-7(2)16-10(15)13-3-4-14-8(6-13)5-12-9(14)11/h5,7H,3-4,6H2,1-2H3
InChIKeyYORBXLPHCUYWRE-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.01
Rot. Bonds1

About propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 154728413) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID154728413
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Namepropan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCC(C)OC(=O)N1CCn2c(cnc2Br)C1
InChIInChI=1S/C10H14BrN3O2/c1-7(2)16-10(15)13-3-4-14-8(6-13)5-12-9(14)11/h5,7H,3-4,6H2,1-2H3
InChIKeyYORBXLPHCUYWRE-UHFFFAOYSA-N
XLogP2.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 70700366
propan-2-yl 4-(5-bromo-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxylate
CID 168724904
lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate
CID 170974997
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474
propan-2-yl 4-[(1S)-1-(2-chloropyrimidin-5-yl)oxyethyl]piperidine-1-carboxylate
CID 154077034
propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
CID 106668534
propan-2-yl 4-[(4-bromophenyl)sulfanylmethyl]piperidine-1-carboxylate
CID 66672731
propan-2-yl 3-bromo-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 121372698
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
propan-2-yl 4-(5-methyl-1-phenyltriazol-4-yl)piperazine-1-carboxylate
CID 58945864

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 154728413) is propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CC(C)OC(=O)N1CCn2c(cnc2Br)C1.
What is the InChIKey of propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is YORBXLPHCUYWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7(2)16-10(15)13-3-4-14-8(6-13)5-12-9(14)11/h5,7H,3-4,6H2,1-2H3.
What are the key properties of propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 288.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 154728413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).