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

C10H12N6O2 — CID 66042233

IUPAC3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cnc(-c2nnnn2C(C)CC(=O)O)cn1
InChIInChI=1S/C10H12N6O2/c1-6-4-12-8(5-11-6)10-13-14-15-16(10)7(2)3-9(17)18/h4-5,7H,3H2,1-2H3,(H,17,18)
InChIKeyFJJJKCIVKRGMGI-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.47
Rot. Bonds4

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

3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 66042233) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID66042233
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cnc(-c2nnnn2C(C)CC(=O)O)cn1
InChIInChI=1S/C10H12N6O2/c1-6-4-12-8(5-11-6)10-13-14-15-16(10)7(2)3-9(17)18/h4-5,7H,3H2,1-2H3,(H,17,18)
InChIKeyFJJJKCIVKRGMGI-UHFFFAOYSA-N
XLogP0.47
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid (CID 66042233) is 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid is Cc1cnc(-c2nnnn2C(C)CC(=O)O)cn1.
What is the InChIKey of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is FJJJKCIVKRGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6-4-12-8(5-11-6)10-13-14-15-16(10)7(2)3-9(17)18/h4-5,7H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
3-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.47, 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]butanoic acid is sourced from PubChem (CID 66042233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).