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

C8H10N4O4 — CID 13247053

IUPACmethyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)CN([N+](=O)[O-])CC2
InChIInChI=1S/C8H10N4O4/c1-16-8(13)6-4-10-2-3-11(12(14)15)5-7(10)9-6/h4H,2-3,5H2,1H3
InChIKeyZCWLZBSACMGHOP-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.32
Rot. Bonds2

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

methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 13247053) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID13247053
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Namemethyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)CN([N+](=O)[O-])CC2
InChIInChI=1S/C8H10N4O4/c1-16-8(13)6-4-10-2-3-11(12(14)15)5-7(10)9-6/h4H,2-3,5H2,1H3
InChIKeyZCWLZBSACMGHOP-UHFFFAOYSA-N
XLogP-0.32
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate (CID 13247053) is methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is COC(=O)c1cn2c(n1)CN([N+](=O)[O-])CC2.
What is the InChIKey of methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is ZCWLZBSACMGHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-16-8(13)6-4-10-2-3-11(12(14)15)5-7(10)9-6/h4H,2-3,5H2,1H3.
What are the key properties of methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate?
methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 226.19 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-nitro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 13247053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).