[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine

C6H12BrN5 — CID 97178988

IUPAC[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine
SMILESCC(C)Cn1nc(Br)nc1NN
InChIInChI=1S/C6H12BrN5/c1-4(2)3-12-6(10-8)9-5(7)11-12/h4H,3,8H2,1-2H3,(H,9,10,11)
InChIKeyICPAVSFAPSUNQX-UHFFFAOYSA-N
MW234.10 g/mol
LogP0.98
Rot. Bonds3

About [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine

[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine (PubChem CID 97178988) has the molecular formula C6H12BrN5 and a molecular weight of 234.10 g/mol. Its IUPAC name is [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine
PubChem CID97178988
Molecular FormulaC6H12BrN5
Molecular Weight234.10 g/mol
Exact Mass233.03
IUPAC Name[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine
SMILESCC(C)Cn1nc(Br)nc1NN
InChIInChI=1S/C6H12BrN5/c1-4(2)3-12-6(10-8)9-5(7)11-12/h4H,3,8H2,1-2H3,(H,9,10,11)
InChIKeyICPAVSFAPSUNQX-UHFFFAOYSA-N
XLogP0.98
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine (CID 97178988) is [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine is CC(C)Cn1nc(Br)nc1NN.
What is the InChIKey of [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is ICPAVSFAPSUNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN5/c1-4(2)3-12-6(10-8)9-5(7)11-12/h4H,3,8H2,1-2H3,(H,9,10,11).
What are the key properties of [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine?
[5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 234.10 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-methylpropyl)-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 97178988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).