lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate

C12H16LiN3O4 — CID 170974997

IUPAClithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cnc2C(=O)[O-])C1.[Li+]
InChIInChI=1S/C12H17N3O4.Li/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(15)10(16)17;/h6H,4-5,7H2,1-3H3,(H,16,17);/q;+1/p-1
InChIKeySPLWJTRCTPXPLC-UHFFFAOYSA-M
MW273.22 g/mol
LogP-3.00
Rot. Bonds1

About lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate

lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate (PubChem CID 170974997) has the molecular formula C12H16LiN3O4 and a molecular weight of 273.22 g/mol. Its IUPAC name is lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namelithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate
PubChem CID170974997
Molecular FormulaC12H16LiN3O4
Molecular Weight273.22 g/mol
Exact Mass273.13
IUPAC Namelithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(cnc2C(=O)[O-])C1.[Li+]
InChIInChI=1S/C12H17N3O4.Li/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(15)10(16)17;/h6H,4-5,7H2,1-3H3,(H,16,17);/q;+1/p-1
InChIKeySPLWJTRCTPXPLC-UHFFFAOYSA-M
XLogP-3.00
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-3.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 3-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 70700366
tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 56972866
tert-butyl 3-(hydroxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 71305919
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 3-[2-(3-cyanophenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 150605771
tert-butyl 3-amino-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 83382871
tert-butyl 2-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121229919
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl 3-methylsulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 129261905
tert-butyl 2-(chloromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 130114897
tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146855386

Frequently Asked Questions

What is the IUPAC name of lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate (CID 170974997) is lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate is CC(C)(C)OC(=O)N1CCn2c(cnc2C(=O)[O-])C1.[Li+].
What is the InChIKey of lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is SPLWJTRCTPXPLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N3O4.Li/c1-12(2,3)19-11(18)14-4-5-15-8(7-14)6-13-9(15)10(16)17;/h6H,4-5,7H2,1-3H3,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate?
lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 273.22 g/mol, XLogP of -3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 170974997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).