6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid

C14H13N3O2 — CID 66450571

IUPAC6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)10/h1-4,7-8,10H,5-6H2,(H,16,17)(H,18,19)
InChIKeyVFYKWFVYBDLEDB-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.93
Rot. Bonds4

About 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid

6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 66450571) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid
PubChem CID66450571
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)10/h1-4,7-8,10H,5-6H2,(H,16,17)(H,18,19)
InChIKeyVFYKWFVYBDLEDB-UHFFFAOYSA-N
XLogP1.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81036140
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 61067039
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-methylbenzoic acid
CID 81282709
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80788844
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
CID 83266351
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644694
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
CID 79399487
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrazole-3-carboxylic acid
CID 66419926
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641687
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
CID 114767786
6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 97256716

Frequently Asked Questions

What is the IUPAC name of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid (CID 66450571) is 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(NCC2Cc3ccccc32)n1.
What is the InChIKey of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is VFYKWFVYBDLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19)12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)10/h1-4,7-8,10H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid?
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66450571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).