2-(5-phenyltetrazol-2-yl)acetic acid

C9H8N4O2 — CID 1086563

IUPAC2-(5-phenyltetrazol-2-yl)acetic acid
SMILESO=C(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4O2/c14-8(15)6-13-11-9(10-12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeyHXVZLHXCUVJOAQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.42
Rot. Bonds3

About 2-(5-phenyltetrazol-2-yl)acetic acid

2-(5-phenyltetrazol-2-yl)acetic acid (PubChem CID 1086563) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)acetic acid
PubChem CID1086563
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(5-phenyltetrazol-2-yl)acetic acid
SMILESO=C(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C9H8N4O2/c14-8(15)6-13-11-9(10-12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeyHXVZLHXCUVJOAQ-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-[5-(3-azidophenyl)tetrazol-2-yl]acetic acid
CID 169326686
4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
2-[5-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]tetrazol-2-yl]acetic acid
CID 168606054
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)acetic acid?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)acetic acid (CID 1086563) is 2-(5-phenyltetrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)acetic acid is O=C(O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)acetic acid?
The InChIKey is HXVZLHXCUVJOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8(15)6-13-11-9(10-12-13)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(5-phenyltetrazol-2-yl)acetic acid?
2-(5-phenyltetrazol-2-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)acetic acid is sourced from PubChem (CID 1086563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).