[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine

C12H16BrN5 — CID 105192382

IUPAC[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN5/c1-2-7-18-11(8-15-17-18)12(16-14)9-3-5-10(13)6-4-9/h3-6,8,12,16H,2,7,14H2,1H3
InChIKeyAIQOWGPTVLSRDD-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.00
Rot. Bonds5

About [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine

[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105192382) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105192382
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN5/c1-2-7-18-11(8-15-17-18)12(16-14)9-3-5-10(13)6-4-9/h3-6,8,12,16H,2,7,14H2,1H3
InChIKeyAIQOWGPTVLSRDD-UHFFFAOYSA-N
XLogP2.00
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
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

N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105335616
[(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105253024
[(3-bromo-5-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105238620
[(2,6-dimethyl-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107504955
[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105252709
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038917
[(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105261508
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
[(1-methylimidazol-4-yl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107979405

Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105192382) is [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)c1ccc(Br)cc1.
What is the InChIKey of [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is AIQOWGPTVLSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-2-7-18-11(8-15-17-18)12(16-14)9-3-5-10(13)6-4-9/h3-6,8,12,16H,2,7,14H2,1H3.
What are the key properties of [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 310.20 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105192382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).