[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine

C11H14BrN5O — CID 105230474

IUPAC[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2ncn[nH]2)c1
InChIInChI=1S/C11H14BrN5O/c1-18-8-2-3-9(12)7(4-8)5-10(16-13)11-14-6-15-17-11/h2-4,6,10,16H,5,13H2,1H3,(H,14,15,17)
InChIKeyOZFCAQKMILNMBS-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.32
Rot. Bonds5

About [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine

[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (PubChem CID 105230474) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
PubChem CID105230474
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(CC(NN)c2ncn[nH]2)c1
InChIInChI=1S/C11H14BrN5O/c1-18-8-2-3-9(12)7(4-8)5-10(16-13)11-14-6-15-17-11/h2-4,6,10,16H,5,13H2,1H3,(H,14,15,17)
InChIKeyOZFCAQKMILNMBS-UHFFFAOYSA-N
XLogP1.32
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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[2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (CID 105230474) is [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is COc1ccc(Br)c(CC(NN)c2ncn[nH]2)c1.
What is the InChIKey of [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The InChIKey is OZFCAQKMILNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-18-8-2-3-9(12)7(4-8)5-10(16-13)11-14-6-15-17-11/h2-4,6,10,16H,5,13H2,1H3,(H,14,15,17).
What are the key properties of [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine has a molecular weight of 312.17 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105230474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).