1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one

C8H12N3O+ — CID 89345500

IUPAC1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one
SMILESCc1c[n+]2c(c(=O)[nH]1)N(C)CC2
InChIInChI=1S/C8H11N3O/c1-6-5-11-4-3-10(2)8(11)7(12)9-6/h5H,3-4H2,1-2H3/p+1
InChIKeyRWQXKUUAZPWIFT-UHFFFAOYSA-O
MW166.20 g/mol
LogP-0.58
Rot. Bonds

About 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one

1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one (PubChem CID 89345500) has the molecular formula C8H12N3O+ and a molecular weight of 166.20 g/mol. Its IUPAC name is 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one.

Molecular Properties

Compound Name1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one
PubChem CID89345500
Molecular FormulaC8H12N3O+
Molecular Weight166.20 g/mol
Exact Mass166.10
IUPAC Name1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one
SMILESCc1c[n+]2c(c(=O)[nH]1)N(C)CC2
InChIInChI=1S/C8H11N3O/c1-6-5-11-4-3-10(2)8(11)7(12)9-6/h5H,3-4H2,1-2H3/p+1
InChIKeyRWQXKUUAZPWIFT-UHFFFAOYSA-O
XLogP-0.58
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one?
The IUPAC name of 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one (CID 89345500) is 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one.
What is the SMILES notation for 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one?
The canonical SMILES for 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one is Cc1c[n+]2c(c(=O)[nH]1)N(C)CC2.
What is the InChIKey of 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one?
The InChIKey is RWQXKUUAZPWIFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N3O/c1-6-5-11-4-3-10(2)8(11)7(12)9-6/h5H,3-4H2,1-2H3/p+1.
What are the key properties of 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one?
1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one has a molecular weight of 166.20 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,7-dihydro-2H-imidazo[1,2-a]pyrazin-4-ium-8-one is sourced from PubChem (CID 89345500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).