5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid

C15H17N5O5 — CID 90725209

IUPAC5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cc(OC)c(C2C(C(=O)O)C(C)=Nc3nnnn32)c(OC)c1
InChIInChI=1S/C15H17N5O5/c1-7-11(14(21)22)13(20-15(16-7)17-18-19-20)12-9(24-3)5-8(23-2)6-10(12)25-4/h5-6,11,13H,1-4H3,(H,21,22)
InChIKeyUDZJHECFWRNXHF-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.10
Rot. Bonds5

About 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 90725209) has the molecular formula C15H17N5O5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID90725209
Molecular FormulaC15H17N5O5
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCOc1cc(OC)c(C2C(C(=O)O)C(C)=Nc3nnnn32)c(OC)c1
InChIInChI=1S/C15H17N5O5/c1-7-11(14(21)22)13(20-15(16-7)17-18-19-20)12-9(24-3)5-8(23-2)6-10(12)25-4/h5-6,11,13H,1-4H3,(H,21,22)
InChIKeyUDZJHECFWRNXHF-UHFFFAOYSA-N
XLogP1.10
TPSA120.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 90725209) is 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is COc1cc(OC)c(C2C(C(=O)O)C(C)=Nc3nnnn32)c(OC)c1.
What is the InChIKey of 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is UDZJHECFWRNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O5/c1-7-11(14(21)22)13(20-15(16-7)17-18-19-20)12-9(24-3)5-8(23-2)6-10(12)25-4/h5-6,11,13H,1-4H3,(H,21,22).
What are the key properties of 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2,4,6-trimethoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90725209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).