5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole

C6H8BrN3 — CID 131273102

IUPAC5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole
SMILESBrc1ncnn1CC1CC1
InChIInChI=1S/C6H8BrN3/c7-6-8-4-9-10(6)3-5-1-2-5/h4-5H,1-3H2
InChIKeyILWKBKRMLLVIHX-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.45
Rot. Bonds2

About 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole

5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole (PubChem CID 131273102) has the molecular formula C6H8BrN3 and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole
PubChem CID131273102
Molecular FormulaC6H8BrN3
Molecular Weight202.05 g/mol
Exact Mass200.99
IUPAC Name5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole
SMILESBrc1ncnn1CC1CC1
InChIInChI=1S/C6H8BrN3/c7-6-8-4-9-10(6)3-5-1-2-5/h4-5H,1-3H2
InChIKeyILWKBKRMLLVIHX-UHFFFAOYSA-N
XLogP1.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole (CID 131273102) is 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole is Brc1ncnn1CC1CC1.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole?
The InChIKey is ILWKBKRMLLVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-8-4-9-10(6)3-5-1-2-5/h4-5H,1-3H2.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole?
5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole has a molecular weight of 202.05 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)-1,2,4-triazole is sourced from PubChem (CID 131273102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).