1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one

C12H12N6O2 — CID 146659044

IUPAC1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one
SMILESCc1cc2nc(-c3nnnn3C)c(=O)n(O)c2cc1C
InChIInChI=1S/C12H12N6O2/c1-6-4-8-9(5-7(6)2)18(20)12(19)10(13-8)11-14-15-16-17(11)3/h4-5,20H,1-3H3
InChIKeyVQJDUMYCLAYVSD-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.44
Rot. Bonds1

About 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one

1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one (PubChem CID 146659044) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one
PubChem CID146659044
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one
SMILESCc1cc2nc(-c3nnnn3C)c(=O)n(O)c2cc1C
InChIInChI=1S/C12H12N6O2/c1-6-4-8-9(5-7(6)2)18(20)12(19)10(13-8)11-14-15-16-17(11)3/h4-5,20H,1-3H3
InChIKeyVQJDUMYCLAYVSD-UHFFFAOYSA-N
XLogP0.44
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-3-(1-methyltetrazol-5-yl)-1-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxalin-2-one
CID 146659034
N-[2-(dimethylamino)ethyl]-2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetamide
CID 146659009
1-[(2S,3S,4R)-5-[5-(dimethylamino)-2-oxopentoxy]-2,3,4-trihydroxypentyl]-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one;N',N'-dimethylethane-1,2-diamine;2-[(2R,3S,4S)-5-[6,7-dimethyl-3-(1-methyltetrazol-5-yl)-2-oxoquinoxalin-1-yl]-2,3,4-trihydroxypentoxy]acetic acid
CID 163999988
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
1-hydroxy-6,7-dimethylquinoxalin-2-one
CID 172773645
2-[5-[6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl]quinoxalin-2-yl]tetrazol-1-yl]acetic acid
CID 146659050
ethyl 3-[5-[6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetraacetyloxypentyl]quinoxalin-2-yl]tetrazol-1-yl]propanoate
CID 162770880
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
CID 102452373
1-hydroxy-3-(1-methyltetrazol-5-yl)quinolin-4-one
CID 70406178
5-methyl-6-(1-methyltetrazol-5-yl)pyridin-3-amine
CID 156887083
3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
CID 165342378
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
CID 90306732

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one?
The IUPAC name of 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one (CID 146659044) is 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one.
What is the SMILES notation for 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one?
The canonical SMILES for 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one is Cc1cc2nc(-c3nnnn3C)c(=O)n(O)c2cc1C.
What is the InChIKey of 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one?
The InChIKey is VQJDUMYCLAYVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-6-4-8-9(5-7(6)2)18(20)12(19)10(13-8)11-14-15-16-17(11)3/h4-5,20H,1-3H3.
What are the key properties of 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one?
1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one has a molecular weight of 272.27 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dimethyl-3-(1-methyltetrazol-5-yl)quinoxalin-2-one is sourced from PubChem (CID 146659044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).