4-bromo-5-cyclopropyl-2H-triazole

C5H6BrN3 — CID 71303694

IUPAC4-bromo-5-cyclopropyl-2H-triazole
SMILESBrc1n[nH]nc1C1CC1
InChIInChI=1S/C5H6BrN3/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2,(H,7,8,9)
InChIKeyNNXCZGVLWBNSOY-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.44
Rot. Bonds1

About 4-bromo-5-cyclopropyl-2H-triazole

4-bromo-5-cyclopropyl-2H-triazole (PubChem CID 71303694) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-2H-triazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-2H-triazole
PubChem CID71303694
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name4-bromo-5-cyclopropyl-2H-triazole
SMILESBrc1n[nH]nc1C1CC1
InChIInChI=1S/C5H6BrN3/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2,(H,7,8,9)
InChIKeyNNXCZGVLWBNSOY-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-2H-triazole?
The IUPAC name of 4-bromo-5-cyclopropyl-2H-triazole (CID 71303694) is 4-bromo-5-cyclopropyl-2H-triazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-2H-triazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-2H-triazole is Brc1n[nH]nc1C1CC1.
What is the InChIKey of 4-bromo-5-cyclopropyl-2H-triazole?
The InChIKey is NNXCZGVLWBNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2,(H,7,8,9).
What are the key properties of 4-bromo-5-cyclopropyl-2H-triazole?
4-bromo-5-cyclopropyl-2H-triazole has a molecular weight of 188.03 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-2H-triazole is sourced from PubChem (CID 71303694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).