2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid

C10H8N4O2 — CID 83886975

IUPAC2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid
SMILESO=C(O)Cc1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C10H8N4O2/c15-9(16)5-7-6-3-1-2-4-8(6)14-10(7)11-12-13-14/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyFUHILLDZONPUGY-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.84
Rot. Bonds2

About 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid

2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid (PubChem CID 83886975) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid
PubChem CID83886975
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid
SMILESO=C(O)Cc1c2ccccc2n2[nH]nnc12
InChIInChI=1S/C10H8N4O2/c15-9(16)5-7-6-3-1-2-4-8(6)14-10(7)11-12-13-14/h1-4H,5H2,(H,11,13)(H,15,16)
InChIKeyFUHILLDZONPUGY-UHFFFAOYSA-N
XLogP0.84
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(carboxymethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900234
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
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2-(4-oxocinnolin-1-yl)acetic acid
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2-(9-phenylcarbazol-4-yl)acetic acid
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2-(2-fluoro-1H-indol-3-yl)acetic acid
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CID 82487890

Frequently Asked Questions

What is the IUPAC name of 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid?
The IUPAC name of 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid (CID 83886975) is 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid.
What is the SMILES notation for 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid?
The canonical SMILES for 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid is O=C(O)Cc1c2ccccc2n2[nH]nnc12.
What is the InChIKey of 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid?
The InChIKey is FUHILLDZONPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-9(16)5-7-6-3-1-2-4-8(6)14-10(7)11-12-13-14/h1-4H,5H2,(H,11,13)(H,15,16).
What are the key properties of 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid?
2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid has a molecular weight of 216.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-tetrazolo[1,5-a]indol-4-yl)acetic acid is sourced from PubChem (CID 83886975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).