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

C14H15N5O2 — CID 90936393

IUPAC7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nnnn2C(c2c(C)cccc2C)C1C(=O)O
InChIInChI=1S/C14H15N5O2/c1-7-5-4-6-8(2)10(7)12-11(13(20)21)9(3)15-14-16-17-18-19(12)14/h4-6,11-12H,1-3H3,(H,20,21)
InChIKeyGZDKCUSFUBWKIT-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.69
Rot. Bonds2

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

7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 90936393) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID90936393
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nnnn2C(c2c(C)cccc2C)C1C(=O)O
InChIInChI=1S/C14H15N5O2/c1-7-5-4-6-8(2)10(7)12-11(13(20)21)9(3)15-14-16-17-18-19(12)14/h4-6,11-12H,1-3H3,(H,20,21)
InChIKeyGZDKCUSFUBWKIT-UHFFFAOYSA-N
XLogP1.69
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 90936393) is 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is CC1=Nc2nnnn2C(c2c(C)cccc2C)C1C(=O)O.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is GZDKCUSFUBWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-7-5-4-6-8(2)10(7)12-11(13(20)21)9(3)15-14-16-17-18-19(12)14/h4-6,11-12H,1-3H3,(H,20,21).
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 285.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-5-methyl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 90936393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).