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

C11H11N5O3 — CID 135576420

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C11H11N5O3/c17-9-2-1-8(10(18)3-9)4-13-15-11(19)5-16-7-12-6-14-16/h1-4,6-7,17-18H,5H2,(H,15,19)/b13-4+
InChIKeyPRORKPIODSKOMC-YIXHJXPBSA-N
MW261.24 g/mol
LogP-0.16
Rot. Bonds4

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 135576420) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID135576420
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C11H11N5O3/c17-9-2-1-8(10(18)3-9)4-13-15-11(19)5-16-7-12-6-14-16/h1-4,6-7,17-18H,5H2,(H,15,19)/b13-4+
InChIKeyPRORKPIODSKOMC-YIXHJXPBSA-N
XLogP-0.16
TPSA112.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135576419
N'-[(1E)-(2,4-dihydroxyphenyl)methylene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135433181
4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzene-1,3-diol
CID 135400284
N'-(2-hydroxybenzylidene)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetohydrazide
CID 135510986
2-[(E)-1,2,4-triazol-4-yliminomethyl]benzene-1,3,5-triol
CID 137169173
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135576422
N-[(4-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 794777
2,4-dihydroxybenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 135421671
[1,2,4]Triazol-1-yl-acetic acid (4-hydroxybenzylidene)hydrazide
CID 135576421
N'-(4-hydroxybenzylidene)-1H-1,2,4-triazole-3-carbohydrazide
CID 135801062
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 3903212
N'-(2,4-dihydroxybenzylidene)-2-{3-nitro-1H-1,2,4-triazol-1-yl}-N-methylacetohydrazide
CID 136508928

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 135576420) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PRORKPIODSKOMC-YIXHJXPBSA-N. The full InChI is InChI=1S/C11H11N5O3/c17-9-2-1-8(10(18)3-9)4-13-15-11(19)5-16-7-12-6-14-16/h1-4,6-7,17-18H,5H2,(H,15,19)/b13-4+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 261.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 135576420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).