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

C9H10N6O2S — CID 55122384

IUPAC2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1cnc(Cn2nnnc2SCC(=O)O)cn1
InChIInChI=1S/C9H10N6O2S/c1-6-2-11-7(3-10-6)4-15-9(12-13-14-15)18-5-8(16)17/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyGSYHUEAYRLABSF-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.00
Rot. Bonds5

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

2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (PubChem CID 55122384) has the molecular formula C9H10N6O2S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
PubChem CID55122384
Molecular FormulaC9H10N6O2S
Molecular Weight266.29 g/mol
Exact Mass266.06
IUPAC Name2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
SMILESCc1cnc(Cn2nnnc2SCC(=O)O)cn1
InChIInChI=1S/C9H10N6O2S/c1-6-2-11-7(3-10-6)4-15-9(12-13-14-15)18-5-8(16)17/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyGSYHUEAYRLABSF-UHFFFAOYSA-N
XLogP-0.00
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid (CID 55122384) is 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is Cc1cnc(Cn2nnnc2SCC(=O)O)cn1.
What is the InChIKey of 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GSYHUEAYRLABSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S/c1-6-2-11-7(3-10-6)4-15-9(12-13-14-15)18-5-8(16)17/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid?
2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 266.29 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylpyrazin-2-yl)methyl]tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 55122384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).