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

C9H11BrN6 — CID 105230433

IUPAC[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)c1ncn[nH]1
InChIInChI=1S/C9H11BrN6/c10-6-1-2-7(12-4-6)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H,13,14,16)
InChIKeyBYMZULDGBKGKMU-UHFFFAOYSA-N
MW283.13 g/mol
LogP0.71
Rot. Bonds4

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

[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (PubChem CID 105230433) has the molecular formula C9H11BrN6 and a molecular weight of 283.13 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
PubChem CID105230433
Molecular FormulaC9H11BrN6
Molecular Weight283.13 g/mol
Exact Mass282.02
IUPAC Name[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)cn1)c1ncn[nH]1
InChIInChI=1S/C9H11BrN6/c10-6-1-2-7(12-4-6)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H,13,14,16)
InChIKeyBYMZULDGBKGKMU-UHFFFAOYSA-N
XLogP0.71
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 50.71
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

[2-(5-bromo-2-pyridinyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105334474
[1-(5-bromo-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105267672
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
[2-(5-bromo-2-pyridinyl)-1-quinolin-5-ylethyl]hydrazine
CID 105334462
[2-(5-bromo-2-pyridinyl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105334600
[2-(5-bromo-2-pyridinyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105334611
[2-(5-bromo-2-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 102813227
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 105230663
1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
CID 105230523
[2-(5-bromo-2-pyridinyl)-1-(2,4-difluoro-5-methylphenyl)ethyl]hydrazine
CID 105334604
[2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193872
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (CID 105230433) is [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)cn1)c1ncn[nH]1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The InChIKey is BYMZULDGBKGKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6/c10-6-1-2-7(12-4-6)3-8(15-11)9-13-5-14-16-9/h1-2,4-5,8,15H,3,11H2,(H,13,14,16).
What are the key properties of [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine has a molecular weight of 283.13 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105230433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).