methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C8H11N3O2 — CID 110712648

IUPACmethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)11-5-4-10-3-2-9-7(10)6-11/h2-3H,4-6H2,1H3
InChIKeyYQVOURGCZSHIFG-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.47
Rot. Bonds

About methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 110712648) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID110712648
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Namemethyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCOC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C8H11N3O2/c1-13-8(12)11-5-4-10-3-2-9-7(10)6-11/h2-3H,4-6H2,1H3
InChIKeyYQVOURGCZSHIFG-UHFFFAOYSA-N
XLogP0.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 110712648) is methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is COC(=O)N1CCn2ccnc2C1.
What is the InChIKey of methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is YQVOURGCZSHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-8(12)11-5-4-10-3-2-9-7(10)6-11/h2-3H,4-6H2,1H3.
What are the key properties of methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 181.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 110712648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).