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

C11H11N5O2 — CID 135576419

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccccc1O
InChIInChI=1S/C11H11N5O2/c17-10-4-2-1-3-9(10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18)/b13-5+
InChIKeyMRAQSSXSMHPHFT-WLRTZDKTSA-N
MW245.24 g/mol
LogP0.13
Rot. Bonds4

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 135576419) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID135576419
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccccc1O
InChIInChI=1S/C11H11N5O2/c17-10-4-2-1-3-9(10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18)/b13-5+
InChIKeyMRAQSSXSMHPHFT-WLRTZDKTSA-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_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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Related Compounds

4-(2-Hydroxybenzylideneamino)-4H-1,2,4-triazole
CID 135478834
N'-[(1E)-(2,4-dihydroxyphenyl)methylene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135433181
N'-[(1E)-(5-chloro-2-hydroxyphenyl)methylene]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135439766
2-[(E)-(1H-1,2,4-Triazol-5-ylimino)methyl]phenol
CID 135408690
N'-(2-hydroxybenzylidene)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetohydrazide
CID 135510986
2-{[(1H-1,2,4-triazol-5-yl)imino]methyl}phenol
CID 246394
N'-[(E)-(2-Methoxyphenyl)methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-YL)acetohydrazide
CID 9643469
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6900252
N-[(E)-(2-hydroxyphenyl)methyleneamino]-2-[5-(1-piperidyl)tetrazol-2-yl]acetamide
CID 135493777
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 136239051
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-[3-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 171350844
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135576422

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 135576419) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MRAQSSXSMHPHFT-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-10-4-2-1-3-9(10)5-13-15-11(18)6-16-8-12-7-14-16/h1-5,7-8,17H,6H2,(H,15,18)/b13-5+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(E)-(2-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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 135576419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).