2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid

C10H11N5O2S — CID 43524217

IUPAC2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC(c1ccncc1)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGFMTXXGUHIBDHM-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 43524217) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID43524217
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCC(c1ccncc1)n1nnnc1SCC(=O)O
InChIInChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyGFMTXXGUHIBDHM-UHFFFAOYSA-N
XLogP0.85
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]sulfanylacetic acid
CID 55150309
2-[1-(1-amino-3-methyl-1-oxobutan-2-yl)tetrazol-5-yl]sulfanylacetic acid
CID 106346366
2-[1-[1-(dimethylamino)-3-methylbutan-2-yl]tetrazol-5-yl]sulfanylacetic acid
CID 54958499
2-[(4-propan-2-yl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 115391912
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-[[4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43148552
2-[[5-methyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43149445
2-[[5-propan-2-yl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43523826
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 43523812
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
CID 27139618

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid (CID 43524217) is 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid is CC(c1ccncc1)n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GFMTXXGUHIBDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-7(8-2-4-11-5-3-8)15-10(12-13-14-15)18-6-9(16)17/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 265.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-4-ylethyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 43524217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).