5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

C8H9N7O2 — CID 135625439

IUPAC5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)NCCC2c1nn[nH]n1
InChIInChI=1S/C8H9N7O2/c16-7(17)4-3-15-5(6-11-13-14-12-6)1-2-9-8(15)10-4/h3,5H,1-2H2,(H,9,10)(H,16,17)(H,11,12,13,14)
InChIKeyOPWYQVBBTYIBDB-UHFFFAOYSA-N
MW235.21 g/mol
LogP-0.50
Rot. Bonds2

About 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid

5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 135625439) has the molecular formula C8H9N7O2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID135625439
Molecular FormulaC8H9N7O2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)NCCC2c1nn[nH]n1
InChIInChI=1S/C8H9N7O2/c16-7(17)4-3-15-5(6-11-13-14-12-6)1-2-9-8(15)10-4/h3,5H,1-2H2,(H,9,10)(H,16,17)(H,11,12,13,14)
InChIKeyOPWYQVBBTYIBDB-UHFFFAOYSA-N
XLogP-0.50
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 135625439) is 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(n1)NCCC2c1nn[nH]n1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is OPWYQVBBTYIBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2/c16-7(17)4-3-15-5(6-11-13-14-12-6)1-2-9-8(15)10-4/h3,5H,1-2H2,(H,9,10)(H,16,17)(H,11,12,13,14).
What are the key properties of 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135625439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).