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

C9H10N6O2 — CID 66041776

IUPAC2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2C(C)C(=O)O)cn1
InChIInChI=1S/C9H10N6O2/c1-5-3-11-7(4-10-5)8-12-13-14-15(8)6(2)9(16)17/h3-4,6H,1-2H3,(H,16,17)
InChIKeyXLVQCBUENDLQJA-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.08
Rot. Bonds3

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

2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041776) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041776
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2C(C)C(=O)O)cn1
InChIInChI=1S/C9H10N6O2/c1-5-3-11-7(4-10-5)8-12-13-14-15(8)6(2)9(16)17/h3-4,6H,1-2H3,(H,16,17)
InChIKeyXLVQCBUENDLQJA-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 482256
Methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
CID 86163737
Lithium 5-methyl-1-(pyrazin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 156138092
5-Methyl-1-(pyrazin-2-ylmethyl)-1,2,4-triazole-3-carboxylic acid
CID 156138093
1-[(5-Methylpyrazin-2-yl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 156138143
Methyl 1-[(5-methylpyrazin-2-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 156146643
Methyl 5-methyl-1-(pyrazin-2-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 156207050
2-[3,5-Di(pyrazin-2-yl)-1,2,4-triazol-1-yl]acetic acid
CID 43839963
Ethyl 1-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-triazole-3-carboxylate
CID 55182922
Ethyl 1-methyl-5-pyrazin-2-yl-1,2,4-triazole-3-carboxylate
CID 63381239
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
CID 66008678
2-(5-Pyrazin-2-yltetrazol-1-yl)acetic acid
CID 66008680

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (CID 66041776) is 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is Cc1cnc(-c2nnnn2C(C)C(=O)O)cn1.
What is the InChIKey of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is XLVQCBUENDLQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-5-3-11-7(4-10-5)8-12-13-14-15(8)6(2)9(16)17/h3-4,6H,1-2H3,(H,16,17).
What are the key properties of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).