2-[(5-bromofuran-3-yl)methyl]triazol-4-amine

C7H7BrN4O — CID 165479365

IUPAC2-[(5-bromofuran-3-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2coc(Br)c2)n1
InChIInChI=1S/C7H7BrN4O/c8-6-1-5(4-13-6)3-12-10-2-7(9)11-12/h1-2,4H,3H2,(H2,9,11)
InChIKeyRZQJQLZEMGRSSE-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.26
Rot. Bonds2

About 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine

2-[(5-bromofuran-3-yl)methyl]triazol-4-amine (PubChem CID 165479365) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(5-bromofuran-3-yl)methyl]triazol-4-amine
PubChem CID165479365
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name2-[(5-bromofuran-3-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2coc(Br)c2)n1
InChIInChI=1S/C7H7BrN4O/c8-6-1-5(4-13-6)3-12-10-2-7(9)11-12/h1-2,4H,3H2,(H2,9,11)
InChIKeyRZQJQLZEMGRSSE-UHFFFAOYSA-N
XLogP1.26
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine?
The IUPAC name of 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine (CID 165479365) is 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine is Nc1cnn(Cc2coc(Br)c2)n1.
What is the InChIKey of 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine?
The InChIKey is RZQJQLZEMGRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c8-6-1-5(4-13-6)3-12-10-2-7(9)11-12/h1-2,4H,3H2,(H2,9,11).
What are the key properties of 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine?
2-[(5-bromofuran-3-yl)methyl]triazol-4-amine has a molecular weight of 243.06 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165479365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).