2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid

C9H10N6O2 — CID 66043594

IUPAC2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C9H10N6O2/c1-9(2,8(16)17)15-7(12-13-14-15)6-5-10-3-4-11-6/h3-5H,1-2H3,(H,16,17)
InChIKeySPCIISMUPVVNGZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.05
Rot. Bonds3

About 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid

2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (PubChem CID 66043594) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
PubChem CID66043594
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C9H10N6O2/c1-9(2,8(16)17)15-7(12-13-14-15)6-5-10-3-4-11-6/h3-5H,1-2H3,(H,16,17)
InChIKeySPCIISMUPVVNGZ-UHFFFAOYSA-N
XLogP-0.05
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (CID 66043594) is 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1cnccn1.
What is the InChIKey of 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The InChIKey is SPCIISMUPVVNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-9(2,8(16)17)15-7(12-13-14-15)6-5-10-3-4-11-6/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid has a molecular weight of 234.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66043594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).