2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide

C17H14FN5O2 — CID 42064567

IUPAC2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H14FN5O2/c18-15-4-2-1-3-14(15)17(25)22-21-16(24)13-7-5-12(6-8-13)9-23-11-19-10-20-23/h1-8,10-11H,9H2,(H,21,24)(H,22,25)
InChIKeyCRGQKVVAKNTMHN-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.54
Rot. Bonds4

About 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide

2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide (PubChem CID 42064567) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
PubChem CID42064567
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H14FN5O2/c18-15-4-2-1-3-14(15)17(25)22-21-16(24)13-7-5-12(6-8-13)9-23-11-19-10-20-23/h1-8,10-11H,9H2,(H,21,24)(H,22,25)
InChIKeyCRGQKVVAKNTMHN-UHFFFAOYSA-N
XLogP1.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide (CID 42064567) is 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccccc1F)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
The InChIKey is CRGQKVVAKNTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-15-4-2-1-3-14(15)17(25)22-21-16(24)13-7-5-12(6-8-13)9-23-11-19-10-20-23/h1-8,10-11H,9H2,(H,21,24)(H,22,25).
What are the key properties of 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide?
2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide has a molecular weight of 339.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 42064567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).