N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C22H17N5O2 — CID 135688694

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H17N5O2/c28-19-14-8-7-11-17(19)15-23-25-22(29)20-24-21(16-9-3-1-4-10-16)27(26-20)18-12-5-2-6-13-18/h1-15,28H,(H,25,29)/b23-15+
InChIKeyMRKWSDIFHQPEAO-HZHRSRAPSA-N
MW383.41 g/mol
LogP3.40
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 135688694) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID135688694
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H17N5O2/c28-19-14-8-7-11-17(19)15-23-25-22(29)20-24-21(16-9-3-1-4-10-16)27(26-20)18-12-5-2-6-13-18/h1-15,28H,(H,25,29)/b23-15+
InChIKeyMRKWSDIFHQPEAO-HZHRSRAPSA-N
XLogP3.40
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.40
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

N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 1246846
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 136820257
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685370
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 42995676
N-(cinnamylideneamino)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 3378020
[2-benzoyloxy-4-[(Z)-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 6035541
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135685446
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(2-hydroxyphenyl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1079705
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 46804502

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 135688694) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1nc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is MRKWSDIFHQPEAO-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-19-14-8-7-11-17(19)15-23-25-22(29)20-24-21(16-9-3-1-4-10-16)27(26-20)18-12-5-2-6-13-18/h1-15,28H,(H,25,29)/b23-15+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.40, 5 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]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 135688694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).