(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine

C5H8BrN5 — CID 97178987

IUPAC(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine
SMILESC=CCn1nc(Br)nc1NN
InChIInChI=1S/C5H8BrN5/c1-2-3-11-5(9-7)8-4(6)10-11/h2H,1,3,7H2,(H,8,9,10)
InChIKeyCBVLGBWGVDMVQL-UHFFFAOYSA-N
MW218.06 g/mol
LogP0.51
Rot. Bonds3

About (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine

(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine (PubChem CID 97178987) has the molecular formula C5H8BrN5 and a molecular weight of 218.06 g/mol. Its IUPAC name is (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine
PubChem CID97178987
Molecular FormulaC5H8BrN5
Molecular Weight218.06 g/mol
Exact Mass217.00
IUPAC Name(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine
SMILESC=CCn1nc(Br)nc1NN
InChIInChI=1S/C5H8BrN5/c1-2-3-11-5(9-7)8-4(6)10-11/h2H,1,3,7H2,(H,8,9,10)
InChIKeyCBVLGBWGVDMVQL-UHFFFAOYSA-N
XLogP0.51
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine?
The IUPAC name of (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine (CID 97178987) is (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine.
What is the SMILES notation for (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine?
The canonical SMILES for (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine is C=CCn1nc(Br)nc1NN.
What is the InChIKey of (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine?
The InChIKey is CBVLGBWGVDMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN5/c1-2-3-11-5(9-7)8-4(6)10-11/h2H,1,3,7H2,(H,8,9,10).
What are the key properties of (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine?
(5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine has a molecular weight of 218.06 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-prop-2-enyl-1,2,4-triazol-3-yl)hydrazine is sourced from PubChem (CID 97178987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).