1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid

C10H14N2O4 — CID 71298527

IUPAC1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
SMILESCC1NCCn2cccc21.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-7-8-3-2-5-10(8)6-4-9-7;3-1(4)2(5)6/h2-3,5,7,9H,4,6H2,1H3;(H,3,4)(H,5,6)
InChIKeyHGTXMSQOKIYGFG-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.31
Rot. Bonds

About 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid

1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid (PubChem CID 71298527) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid.

Molecular Properties

Compound Name1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
PubChem CID71298527
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
SMILESCC1NCCn2cccc21.O=C(O)C(=O)O
InChIInChI=1S/C8H12N2.C2H2O4/c1-7-8-3-2-5-10(8)6-4-9-7;3-1(4)2(5)6/h2-3,5,7,9H,4,6H2,1H3;(H,3,4)(H,5,6)
InChIKeyHGTXMSQOKIYGFG-UHFFFAOYSA-N
XLogP0.31
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049356
1-(oxetan-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 170425491
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 25215501
(E)-but-2-enedioic acid;1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 155937854
3,5-dimethyl-4-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)-1,2-oxazole
CID 45496474
(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 826742
(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049370
1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2770920
(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049384
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 94180479
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid?
The IUPAC name of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid (CID 71298527) is 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid.
What is the SMILES notation for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid?
The canonical SMILES for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid is CC1NCCn2cccc21.O=C(O)C(=O)O.
What is the InChIKey of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid?
The InChIKey is HGTXMSQOKIYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H2O4/c1-7-8-3-2-5-10(8)6-4-9-7;3-1(4)2(5)6/h2-3,5,7,9H,4,6H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid?
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid has a molecular weight of 226.23 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid is sourced from PubChem (CID 71298527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).