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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Related Compounds

7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84683520
7-(trifluoromethyl)tetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105492111
2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71683769
5-O-tert-butyl 7-O-ethyl tetrazolo[1,5-a]pyrimidine-5,7-dicarboxylate;7-ethoxycarbonyltetrazolo[1,5-a]pyrimidine-5-carboxylic acid;5-[(2-methylpropan-2-yl)oxycarbonyl]tetrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 161075513
2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82078907
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82089498
4-acetyl-6-cyclopropylpyridine-2-carboxylic acid
CID 164869467
CID 175714264
CID 175714264
5-cyclopropyl-1-(oxan-3-yl)pyrazole-3-carboxylic acid
CID 175666826
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82301432
5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
CID 166302015
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610

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).