1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide

C15H11ClFN5O — CID 141406259

IUPAC1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide
SMILESO=C(NNc1cccc(F)c1)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H11ClFN5O/c16-12-6-1-2-7-14(12)22-9-13(19-21-22)15(23)20-18-11-5-3-4-10(17)8-11/h1-9,18H,(H,20,23)
InChIKeyBWWPORMTAOXUHR-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide

1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide (PubChem CID 141406259) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide
PubChem CID141406259
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide
SMILESO=C(NNc1cccc(F)c1)c1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H11ClFN5O/c16-12-6-1-2-7-14(12)22-9-13(19-21-22)15(23)20-18-11-5-3-4-10(17)8-11/h1-9,18H,(H,20,23)
InChIKeyBWWPORMTAOXUHR-UHFFFAOYSA-N
XLogP2.82
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167860031
N-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886939
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 51100042
2-[[[1-(2-chlorophenyl)triazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253058
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876088
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886982
2-[[1-(3-chloro-2-fluorophenyl)triazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 120520901
1-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methyltriazole-4-carboxamide
CID 51100081
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(2-chlorophenyl)triazole-4-carboxamide
CID 95320979
3-[[1-(3-chloro-2-fluorophenyl)triazole-4-carbonyl]amino]thiolane-3-carboxylic acid
CID 120531493
1-(3-chloro-2-fluorophenyl)-N-(4-hydroxy-2-methylbutyl)triazole-4-carboxamide
CID 84596860
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide?
The IUPAC name of 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide (CID 141406259) is 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide?
The canonical SMILES for 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide is O=C(NNc1cccc(F)c1)c1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide?
The InChIKey is BWWPORMTAOXUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-12-6-1-2-7-14(12)22-9-13(19-21-22)15(23)20-18-11-5-3-4-10(17)8-11/h1-9,18H,(H,20,23).
What are the key properties of 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide?
1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide has a molecular weight of 331.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-(3-fluorophenyl)triazole-4-carbohydrazide is sourced from PubChem (CID 141406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).