N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide

C10H11N5O2 — CID 110500369

IUPACN-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H11N5O2/c1-15-9(12-13-14-15)6-10(17)11-7-2-4-8(16)5-3-7/h2-5,16H,6H2,1H3,(H,11,17)
InChIKeyPQAGDGXJFNETQS-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.10
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide

N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500369) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500369
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1CC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C10H11N5O2/c1-15-9(12-13-14-15)6-10(17)11-7-2-4-8(16)5-3-7/h2-5,16H,6H2,1H3,(H,11,17)
InChIKeyPQAGDGXJFNETQS-UHFFFAOYSA-N
XLogP0.10
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110500529
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500481
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500574
N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500390
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-phenylacetamide
CID 91945840
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500427
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-(4-phenylphenyl)acetamide
CID 91945914
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500527
N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500376
N-butyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110496861
2-(1-methyltetrazol-5-yl)ethanethioic S-acid
CID 20511253
2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496908

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500369) is N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1CC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is PQAGDGXJFNETQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15-9(12-13-14-15)6-10(17)11-7-2-4-8(16)5-3-7/h2-5,16H,6H2,1H3,(H,11,17).
What are the key properties of N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).