2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid

C12H9N5O2S — CID 64927980

IUPAC2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Sc2cncc3nnnn23)cc1
InChIInChI=1S/C12H9N5O2S/c18-12(19)5-8-1-3-9(4-2-8)20-11-7-13-6-10-14-15-16-17(10)11/h1-4,6-7H,5H2,(H,18,19)
InChIKeyCIQVJINFADTNKM-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid

2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid (PubChem CID 64927980) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid
PubChem CID64927980
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC Name2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Sc2cncc3nnnn23)cc1
InChIInChI=1S/C12H9N5O2S/c18-12(19)5-8-1-3-9(4-2-8)20-11-7-13-6-10-14-15-16-17(10)11/h1-4,6-7H,5H2,(H,18,19)
InChIKeyCIQVJINFADTNKM-UHFFFAOYSA-N
XLogP1.30
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]phenyl]acetic acid
CID 114786375
3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104573126
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylsulfanylphenyl)acetic acid
CID 115372236
2-[4-(5-iodopyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 66340086
2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid
CID 64927782
2-[4-(6-methylpyridazin-3-yl)sulfanylphenyl]acetic acid
CID 64929753
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-(4-chlorosulfanylphenyl)acetic acid
CID 146211167
1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
CID 63199240
2-[4-[(5-bromo-3-pyridinyl)methylsulfanyl]phenyl]acetic acid
CID 113454056
2-(4-quinoxalin-2-ylsulfanylphenyl)acetic acid
CID 64928769

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid (CID 64927980) is 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid is O=C(O)Cc1ccc(Sc2cncc3nnnn23)cc1.
What is the InChIKey of 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid?
The InChIKey is CIQVJINFADTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c18-12(19)5-8-1-3-9(4-2-8)20-11-7-13-6-10-14-15-16-17(10)11/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid?
2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid has a molecular weight of 287.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid is sourced from PubChem (CID 64927980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).