3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole

C6H7Br2N3 — CID 95656865

IUPAC3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole
SMILESBrc1nc(Br)n(CC2CC2)n1
InChIInChI=1S/C6H7Br2N3/c7-5-9-6(8)11(10-5)3-4-1-2-4/h4H,1-3H2
InChIKeyZWPLIHKHZPOKEK-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.21
Rot. Bonds2

About 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole

3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole (PubChem CID 95656865) has the molecular formula C6H7Br2N3 and a molecular weight of 280.95 g/mol. Its IUPAC name is 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole
PubChem CID95656865
Molecular FormulaC6H7Br2N3
Molecular Weight280.95 g/mol
Exact Mass278.90
IUPAC Name3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole
SMILESBrc1nc(Br)n(CC2CC2)n1
InChIInChI=1S/C6H7Br2N3/c7-5-9-6(8)11(10-5)3-4-1-2-4/h4H,1-3H2
InChIKeyZWPLIHKHZPOKEK-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The IUPAC name of 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole (CID 95656865) is 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole.
What is the SMILES notation for 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The canonical SMILES for 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole is Brc1nc(Br)n(CC2CC2)n1.
What is the InChIKey of 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The InChIKey is ZWPLIHKHZPOKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2N3/c7-5-9-6(8)11(10-5)3-4-1-2-4/h4H,1-3H2.
What are the key properties of 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole?
3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole has a molecular weight of 280.95 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(cyclopropylmethyl)-1,2,4-triazole is sourced from PubChem (CID 95656865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).