2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid

C11H13N3O2 — CID 114474558

IUPAC2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)c1cnc(C)c(C)n1
InChIInChI=1S/C11H13N3O2/c1-4-5-14(7-11(15)16)10-6-12-8(2)9(3)13-10/h1,6H,5,7H2,2-3H3,(H,15,16)
InChIKeyZQOFDZIFOQLNNY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds4

About 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid

2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid (PubChem CID 114474558) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
PubChem CID114474558
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)c1cnc(C)c(C)n1
InChIInChI=1S/C11H13N3O2/c1-4-5-14(7-11(15)16)10-6-12-8(2)9(3)13-10/h1,6H,5,7H2,2-3H3,(H,15,16)
InChIKeyZQOFDZIFOQLNNY-UHFFFAOYSA-N
XLogP0.62
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274003
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
CID 114474321
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-prop-2-ynylamino]acetic acid
CID 79273710
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-prop-2-ynylamino]acetic acid
CID 136959248
2-[(4-methoxypyrimidin-2-yl)-prop-2-ynylamino]acetic acid
CID 79274156
2-[(4-bromo-1,3-thiazol-2-yl)-prop-2-ynylamino]acetic acid
CID 79398848
2-[(3-methyl-5-nitro-2-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79275185
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-[(3-methyl-5-nitroimidazol-4-yl)-prop-2-ynylamino]acetic acid
CID 79273559
2-[(6-nitro-3-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79273384
2-[prop-2-ynyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 79275178

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid (CID 114474558) is 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)c1cnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid?
The InChIKey is ZQOFDZIFOQLNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-5-14(7-11(15)16)10-6-12-8(2)9(3)13-10/h1,6H,5,7H2,2-3H3,(H,15,16).
What are the key properties of 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid?
2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 114474558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).