3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine

C8H11BrN4 — CID 106463544

IUPAC3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CC1
InChIInChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)5-2-3-6(10)4-5/h4,6H,2-3,10H2,1H3
InChIKeyIONMVFBQTQSNLP-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.08
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine

3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine (PubChem CID 106463544) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine
PubChem CID106463544
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CC1
InChIInChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)5-2-3-6(10)4-5/h4,6H,2-3,10H2,1H3
InChIKeyIONMVFBQTQSNLP-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine (CID 106463544) is 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine is Cn1nnc(Br)c1C1=CC(N)CC1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine?
The InChIKey is IONMVFBQTQSNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)5-2-3-6(10)4-5/h4,6H,2-3,10H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine has a molecular weight of 243.11 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 106463544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).