N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H9N5O2 — CID 110499452

IUPACN-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1O
InChIInChI=1S/C9H9N5O2/c15-7-4-2-1-3-6(7)10-9(16)5-8-11-13-14-12-8/h1-4,15H,5H2,(H,10,16)(H,11,12,13,14)
InChIKeyQLLHWVINNQMVBY-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.09
Rot. Bonds3

About N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499452) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499452
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccccc1O
InChIInChI=1S/C9H9N5O2/c15-7-4-2-1-3-6(7)10-9(16)5-8-11-13-14-12-8/h1-4,15H,5H2,(H,10,16)(H,11,12,13,14)
InChIKeyQLLHWVINNQMVBY-UHFFFAOYSA-N
XLogP0.09
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499510
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone
CID 902451
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(4-phenyl-1,3-thiazol-2-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 110502623
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
N-(3-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499525
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499452) is N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is QLLHWVINNQMVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-7-4-2-1-3-6(7)10-9(16)5-8-11-13-14-12-8/h1-4,15H,5H2,(H,10,16)(H,11,12,13,14).
What are the key properties of N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 219.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).