N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C11H11N5O2 — CID 948329

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1ccc(O)cc1
InChIInChI=1S/C11H11N5O2/c17-10-3-1-9(2-4-10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18)
InChIKeyHCZKOGWEZRUGKD-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.13
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 948329) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID948329
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1ccc(O)cc1
InChIInChI=1S/C11H11N5O2/c17-10-3-1-9(2-4-10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18)
InChIKeyHCZKOGWEZRUGKD-UHFFFAOYSA-N
XLogP0.13
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 948329) is N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HCZKOGWEZRUGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-10-3-1-9(2-4-10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 948329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).