2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid

C13H10N6O2 — CID 103997463

IUPAC2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(c1cncc3nnnn13)C2
InChIInChI=1S/C13H10N6O2/c20-13(21)8-1-2-9-6-18(7-10(9)3-8)12-5-14-4-11-15-16-17-19(11)12/h1-5H,6-7H2,(H,20,21)
InChIKeyJGFMBRVCYQSUQV-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.74
Rot. Bonds2

About 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid

2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997463) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997463
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(c1cncc3nnnn13)C2
InChIInChI=1S/C13H10N6O2/c20-13(21)8-1-2-9-6-18(7-10(9)3-8)12-5-14-4-11-15-16-17-19(11)12/h1-5H,6-7H2,(H,20,21)
InChIKeyJGFMBRVCYQSUQV-UHFFFAOYSA-N
XLogP0.74
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997463) is 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(c1cncc3nnnn13)C2.
What is the InChIKey of 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is JGFMBRVCYQSUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c20-13(21)8-1-2-9-6-18(7-10(9)3-8)12-5-14-4-11-15-16-17-19(11)12/h1-5H,6-7H2,(H,20,21).
What are the key properties of 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazolo[1,5-a]pyrazin-5-yl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).