3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine

C10H21BrN6 — CID 106466087

IUPAC3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1c(Br)nnn1C
InChIInChI=1S/C10H21BrN6/c1-4-17(5-2)7-6-8(13-12)9-10(11)14-15-16(9)3/h8,13H,4-7,12H2,1-3H3
InChIKeyQHXLTVSUEBUTAY-UHFFFAOYSA-N
MW305.22 g/mol
LogP0.81
Rot. Bonds7

About 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine

3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine (PubChem CID 106466087) has the molecular formula C10H21BrN6 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
PubChem CID106466087
Molecular FormulaC10H21BrN6
Molecular Weight305.22 g/mol
Exact Mass304.10
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1c(Br)nnn1C
InChIInChI=1S/C10H21BrN6/c1-4-17(5-2)7-6-8(13-12)9-10(11)14-15-16(9)3/h8,13H,4-7,12H2,1-3H3
InChIKeyQHXLTVSUEBUTAY-UHFFFAOYSA-N
XLogP0.81
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 50.81
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 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine 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)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106466287
[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 106466500
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105244142
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 106466425
[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 106466584
[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 106465858
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine (CID 106466087) is 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine is CCN(CC)CCC(NN)c1c(Br)nnn1C.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The InChIKey is QHXLTVSUEBUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN6/c1-4-17(5-2)7-6-8(13-12)9-10(11)14-15-16(9)3/h8,13H,4-7,12H2,1-3H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine is sourced from PubChem (CID 106466087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).