2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid

C19H17N5O2 — CID 53214294

IUPAC2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESCc1ccc(C2C=C(c3ccccc3)N(CC(=O)O)c3nnnn32)cc1
InChIInChI=1S/C19H17N5O2/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)23(12-18(25)26)19-20-21-22-24(17)19/h2-11,17H,12H2,1H3,(H,25,26)
InChIKeyRDEAKUZPPZBAJS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.52
Rot. Bonds4

About 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid

2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid (PubChem CID 53214294) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
PubChem CID53214294
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESCc1ccc(C2C=C(c3ccccc3)N(CC(=O)O)c3nnnn32)cc1
InChIInChI=1S/C19H17N5O2/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)23(12-18(25)26)19-20-21-22-24(17)19/h2-11,17H,12H2,1H3,(H,25,26)
InChIKeyRDEAKUZPPZBAJS-UHFFFAOYSA-N
XLogP2.52
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid (CID 53214294) is 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid is Cc1ccc(C2C=C(c3ccccc3)N(CC(=O)O)c3nnnn32)cc1.
What is the InChIKey of 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The InChIKey is RDEAKUZPPZBAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-7-9-15(10-8-13)17-11-16(14-5-3-2-4-6-14)23(12-18(25)26)19-20-21-22-24(17)19/h2-11,17H,12H2,1H3,(H,25,26).
What are the key properties of 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid has a molecular weight of 347.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 53214294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).