3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid

C9H10N6O2 — CID 66041407

IUPAC3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2CCC(=O)O)cn1
InChIInChI=1S/C9H10N6O2/c1-6-4-11-7(5-10-6)9-12-13-14-15(9)3-2-8(16)17/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyAPQVSZZYYOKBNO-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.09
Rot. Bonds4

About 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid

3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66041407) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID66041407
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cnc(-c2nnnn2CCC(=O)O)cn1
InChIInChI=1S/C9H10N6O2/c1-6-4-11-7(5-10-6)9-12-13-14-15(9)3-2-8(16)17/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyAPQVSZZYYOKBNO-UHFFFAOYSA-N
XLogP-0.09
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.09
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
2-(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)acetic acid
CID 39032840
Methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
CID 86163737
2-[1-[(1-Propyltriazol-4-yl)methyl]tetrazol-5-yl]acetic acid
CID 126681973
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 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
CID 163289760
2-[1-[(5-Methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 55122384
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
CID 66008678
2-(5-Pyrazin-2-yltetrazol-1-yl)acetic acid
CID 66008680
3-(5-Pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66041607
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66041776

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid (CID 66041407) is 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is Cc1cnc(-c2nnnn2CCC(=O)O)cn1.
What is the InChIKey of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is APQVSZZYYOKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-6-4-11-7(5-10-6)9-12-13-14-15(9)3-2-8(16)17/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid?
3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 234.22 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).