N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide

C10H10N6O2 — CID 137284443

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide
SMILESO=C(Cn1ncnn1)N/N=C/c1ccccc1O
InChIInChI=1S/C10H10N6O2/c17-9-4-2-1-3-8(9)5-11-14-10(18)6-16-13-7-12-15-16/h1-5,7,17H,6H2,(H,14,18)/b11-5+
InChIKeyGACXOEQGRNESQA-VZUCSPMQSA-N
MW246.23 g/mol
LogP-0.47
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide (PubChem CID 137284443) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide
PubChem CID137284443
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide
SMILESO=C(Cn1ncnn1)N/N=C/c1ccccc1O
InChIInChI=1S/C10H10N6O2/c17-9-4-2-1-3-8(9)5-11-14-10(18)6-16-13-7-12-15-16/h1-5,7,17H,6H2,(H,14,18)/b11-5+
InChIKeyGACXOEQGRNESQA-VZUCSPMQSA-N
XLogP-0.47
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide (CID 137284443) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide is O=C(Cn1ncnn1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide?
The InChIKey is GACXOEQGRNESQA-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H10N6O2/c17-9-4-2-1-3-8(9)5-11-14-10(18)6-16-13-7-12-15-16/h1-5,7,17H,6H2,(H,14,18)/b11-5+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide has a molecular weight of 246.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(tetrazol-2-yl)acetamide is sourced from PubChem (CID 137284443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).