2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid

C10H12N6O2 — CID 66043393

IUPAC2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2C(C)(C)C(=O)O)cn1
InChIInChI=1S/C10H12N6O2/c1-6-4-12-7(5-11-6)8-13-14-15-16(8)10(2,3)9(17)18/h4-5H,1-3H3,(H,17,18)
InChIKeyURPLKTUUYDEYFP-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.26
Rot. Bonds3

About 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid

2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66043393) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID66043393
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2C(C)(C)C(=O)O)cn1
InChIInChI=1S/C10H12N6O2/c1-6-4-12-7(5-11-6)8-13-14-15-16(8)10(2,3)9(17)18/h4-5H,1-3H3,(H,17,18)
InChIKeyURPLKTUUYDEYFP-UHFFFAOYSA-N
XLogP0.26
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.26
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-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (CID 66043393) is 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is Cc1cnc(-c2nnnn2C(C)(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is URPLKTUUYDEYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-4-12-7(5-11-6)8-13-14-15-16(8)10(2,3)9(17)18/h4-5H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
2-methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.26, 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-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66043393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).