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

C17H15N5O3 — CID 91468155

IUPAC5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nnnn2C(c2ccccc2-c2ccc(C)o2)C1C(=O)O
InChIInChI=1S/C17H15N5O3/c1-9-7-8-13(25-9)11-5-3-4-6-12(11)15-14(16(23)24)10(2)18-17-19-20-21-22(15)17/h3-8,14-15H,1-2H3,(H,23,24)
InChIKeyJEWQOWIXAKTKJE-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.64
Rot. Bonds3

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

5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 91468155) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID91468155
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCC1=Nc2nnnn2C(c2ccccc2-c2ccc(C)o2)C1C(=O)O
InChIInChI=1S/C17H15N5O3/c1-9-7-8-13(25-9)11-5-3-4-6-12(11)15-14(16(23)24)10(2)18-17-19-20-21-22(15)17/h3-8,14-15H,1-2H3,(H,23,24)
InChIKeyJEWQOWIXAKTKJE-UHFFFAOYSA-N
XLogP2.64
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 91468155) is 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is CC1=Nc2nnnn2C(c2ccccc2-c2ccc(C)o2)C1C(=O)O.
What is the InChIKey of 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is JEWQOWIXAKTKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-9-7-8-13(25-9)11-5-3-4-6-12(11)15-14(16(23)24)10(2)18-17-19-20-21-22(15)17/h3-8,14-15H,1-2H3,(H,23,24).
What are the key properties of 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 337.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[2-(5-methylfuran-2-yl)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 91468155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).