[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine

C13H24BrN5O — CID 106466257

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2c(Br)nnn2C)CCCCCC1
InChIInChI=1S/C13H24BrN5O/c1-3-20-13(8-6-4-5-7-9-13)11(16-15)10-12(14)17-18-19(10)2/h11,16H,3-9,15H2,1-2H3
InChIKeyHEHMQFZXJDKAGS-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.21
Rot. Bonds5

About [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine (PubChem CID 106466257) has the molecular formula C13H24BrN5O and a molecular weight of 346.27 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
PubChem CID106466257
Molecular FormulaC13H24BrN5O
Molecular Weight346.27 g/mol
Exact Mass345.12
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2c(Br)nnn2C)CCCCCC1
InChIInChI=1S/C13H24BrN5O/c1-3-20-13(8-6-4-5-7-9-13)11(16-15)10-12(14)17-18-19(10)2/h11,16H,3-9,15H2,1-2H3
InChIKeyHEHMQFZXJDKAGS-UHFFFAOYSA-N
XLogP2.21
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020
[(4-bromo-1-ethylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276358
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 106463034
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276226
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 106462655
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
[(1-ethoxycyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140671
[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736
[(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278518

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine (CID 106466257) is [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine is CCOC1(C(NN)c2c(Br)nnn2C)CCCCCC1.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine?
The InChIKey is HEHMQFZXJDKAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN5O/c1-3-20-13(8-6-4-5-7-9-13)11(16-15)10-12(14)17-18-19(10)2/h11,16H,3-9,15H2,1-2H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine has a molecular weight of 346.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine is sourced from PubChem (CID 106466257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).