7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid

C8H7N5O2 — CID 105456993

IUPAC7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nnnc2n1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-3-6(4-1-2-4)13-8(9-5)10-11-12-13/h3-4H,1-2H2,(H,14,15)
InChIKeyXZQCZTKZNLORQJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.09
Rot. Bonds2

About 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 105456993) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID105456993
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)n2nnnc2n1
InChIInChI=1S/C8H7N5O2/c14-7(15)5-3-6(4-1-2-4)13-8(9-5)10-11-12-13/h3-4H,1-2H2,(H,14,15)
InChIKeyXZQCZTKZNLORQJ-UHFFFAOYSA-N
XLogP0.09
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 105456993) is 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(C2CC2)n2nnnc2n1.
What is the InChIKey of 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is XZQCZTKZNLORQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-7(15)5-3-6(4-1-2-4)13-8(9-5)10-11-12-13/h3-4H,1-2H2,(H,14,15).
What are the key properties of 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 105456993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).