4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide

C12H12N6O2 — CID 63581294

IUPAC4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide
SMILESN#Cc1ncn(CCOc2ccc(C(=O)NN)cc2)n1
InChIInChI=1S/C12H12N6O2/c13-7-11-15-8-18(17-11)5-6-20-10-3-1-9(2-4-10)12(19)16-14/h1-4,8H,5-6,14H2,(H,16,19)
InChIKeyPXWILQBYMUIHKG-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.17
Rot. Bonds5

About 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide

4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide (PubChem CID 63581294) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide
PubChem CID63581294
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide
SMILESN#Cc1ncn(CCOc2ccc(C(=O)NN)cc2)n1
InChIInChI=1S/C12H12N6O2/c13-7-11-15-8-18(17-11)5-6-20-10-3-1-9(2-4-10)12(19)16-14/h1-4,8H,5-6,14H2,(H,16,19)
InChIKeyPXWILQBYMUIHKG-UHFFFAOYSA-N
XLogP-0.17
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
3-bromo-4-[(3-cyano-1,2,4-triazol-1-yl)methyl]benzohydrazide
CID 102774845
1-[3-(4-methoxyphenoxy)propyl]-1,2,4-triazole-3-carbonitrile
CID 24604239
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
1-[2-(2-aminoethoxy)ethyl]-1,2,4-triazole-3-carbonitrile
CID 103482347
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-[2-(5-bromo-6-oxopyrimidin-1-yl)ethoxy]benzohydrazide
CID 66310652
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
4-pentoxybenzohydrazide
CID 2727702
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide (CID 63581294) is 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide is N#Cc1ncn(CCOc2ccc(C(=O)NN)cc2)n1.
What is the InChIKey of 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide?
The InChIKey is PXWILQBYMUIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c13-7-11-15-8-18(17-11)5-6-20-10-3-1-9(2-4-10)12(19)16-14/h1-4,8H,5-6,14H2,(H,16,19).
What are the key properties of 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide?
4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide has a molecular weight of 272.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).