6-(pent-3-ynylamino)pyrazine-2-carboxylic acid

C10H11N3O2 — CID 116644352

IUPAC6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
SMILESCC#CCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C10H11N3O2/c1-2-3-4-5-12-9-7-11-6-8(13-9)10(14)15/h6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyKPSXRZWQRYZVSX-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.00
Rot. Bonds4

About 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid

6-(pent-3-ynylamino)pyrazine-2-carboxylic acid (PubChem CID 116644352) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
PubChem CID116644352
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
SMILESCC#CCCNc1cncc(C(=O)O)n1
InChIInChI=1S/C10H11N3O2/c1-2-3-4-5-12-9-7-11-6-8(13-9)10(14)15/h6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyKPSXRZWQRYZVSX-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
CID 113410686
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 66450849
6-[2-(2-methylprop-2-enoxy)ethylamino]pyrazine-2-carboxylic acid
CID 114468104
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
6-[(3-ethyl-2-hydroxypentyl)amino]pyrazine-2-carboxylic acid
CID 106287196
6-[2-(trifluoromethylsulfanyl)ethylamino]pyrazine-2-carboxylic acid
CID 106429575
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 66452088
2-tert-butyl-6-(pent-3-ynylamino)pyridine-4-carboxylic acid
CID 116644346
2-(pent-3-ynylamino)pyrimidine-5-carboxylic acid
CID 130550903
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956

Frequently Asked Questions

What is the IUPAC name of 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid (CID 116644352) is 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid is CC#CCCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid?
The InChIKey is KPSXRZWQRYZVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-3-4-5-12-9-7-11-6-8(13-9)10(14)15/h6-7H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid?
6-(pent-3-ynylamino)pyrazine-2-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pent-3-ynylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 116644352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).