2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid

C9H12N6O2S — CID 107463985

IUPAC2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCc1nn(C)cc1-n1nnnc1SCC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-3-6-7(4-14(2)11-6)15-9(10-12-13-15)18-5-8(16)17/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyPLASKKUGWUXYOD-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.13
Rot. Bonds5

About 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 107463985) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID107463985
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid
SMILESCCc1nn(C)cc1-n1nnnc1SCC(=O)O
InChIInChI=1S/C9H12N6O2S/c1-3-6-7(4-14(2)11-6)15-9(10-12-13-15)18-5-8(16)17/h4H,3,5H2,1-2H3,(H,16,17)
InChIKeyPLASKKUGWUXYOD-UHFFFAOYSA-N
XLogP0.13
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)imidazol-2-yl]sulfanylacetic acid
CID 107464246
2-[[5-(3-ethyl-1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 102810809
2-[1-(2,3-difluorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 61075946
N-[[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107464810
2-[5-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 115991383
2-[1-[2-(difluoromethylsulfanyl)phenyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070421
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
2-[[4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115991774
3-chloro-4-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 107464532
2-[[5-amino-4-(1,3-dimethylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 102807483
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
2-[1-[3-(diethylamino)-3-oxopropyl]tetrazol-5-yl]sulfanylacetic acid
CID 113411581

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid (CID 107463985) is 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid is CCc1nn(C)cc1-n1nnnc1SCC(=O)O.
What is the InChIKey of 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is PLASKKUGWUXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-3-6-7(4-14(2)11-6)15-9(10-12-13-15)18-5-8(16)17/h4H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 268.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 107463985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).