2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide

C9H9ClN6O — CID 3177752

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide
SMILESNC(Cn1nnc(-c2ccc(Cl)cc2)n1)=NO
InChIInChI=1S/C9H9ClN6O/c10-7-3-1-6(2-4-7)9-12-15-16(13-9)5-8(11)14-17/h1-4,17H,5H2,(H2,11,14)
InChIKeyGWJFYYKBOAJYTD-UHFFFAOYSA-N
MW252.67 g/mol
LogP0.74
Rot. Bonds3

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide (PubChem CID 3177752) has the molecular formula C9H9ClN6O and a molecular weight of 252.67 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide
PubChem CID3177752
Molecular FormulaC9H9ClN6O
Molecular Weight252.67 g/mol
Exact Mass252.05
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide
SMILESNC(Cn1nnc(-c2ccc(Cl)cc2)n1)=NO
InChIInChI=1S/C9H9ClN6O/c10-7-3-1-6(2-4-7)9-12-15-16(13-9)5-8(11)14-17/h1-4,17H,5H2,(H2,11,14)
InChIKeyGWJFYYKBOAJYTD-UHFFFAOYSA-N
XLogP0.74
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 16517930
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 78835314
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide (CID 3177752) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide is NC(Cn1nnc(-c2ccc(Cl)cc2)n1)=NO.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide?
The InChIKey is GWJFYYKBOAJYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O/c10-7-3-1-6(2-4-7)9-12-15-16(13-9)5-8(11)14-17/h1-4,17H,5H2,(H2,11,14).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide has a molecular weight of 252.67 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 3177752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).