(5-bromo-3-ethyltriazol-4-yl)methanamine

C5H9BrN4 — CID 125458593

IUPAC(5-bromo-3-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(Br)c1CN
InChIInChI=1S/C5H9BrN4/c1-2-10-4(3-7)5(6)8-9-10/h2-3,7H2,1H3
InChIKeyWBVQQNNTYXDBNJ-UHFFFAOYSA-N
MW205.06 g/mol
LogP0.52
Rot. Bonds2

About (5-bromo-3-ethyltriazol-4-yl)methanamine

(5-bromo-3-ethyltriazol-4-yl)methanamine (PubChem CID 125458593) has the molecular formula C5H9BrN4 and a molecular weight of 205.06 g/mol. Its IUPAC name is (5-bromo-3-ethyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-ethyltriazol-4-yl)methanamine
PubChem CID125458593
Molecular FormulaC5H9BrN4
Molecular Weight205.06 g/mol
Exact Mass204.00
IUPAC Name(5-bromo-3-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(Br)c1CN
InChIInChI=1S/C5H9BrN4/c1-2-10-4(3-7)5(6)8-9-10/h2-3,7H2,1H3
InChIKeyWBVQQNNTYXDBNJ-UHFFFAOYSA-N
XLogP0.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-ethyltriazol-4-yl)methanamine?
The IUPAC name of (5-bromo-3-ethyltriazol-4-yl)methanamine (CID 125458593) is (5-bromo-3-ethyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-bromo-3-ethyltriazol-4-yl)methanamine?
The canonical SMILES for (5-bromo-3-ethyltriazol-4-yl)methanamine is CCn1nnc(Br)c1CN.
What is the InChIKey of (5-bromo-3-ethyltriazol-4-yl)methanamine?
The InChIKey is WBVQQNNTYXDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4/c1-2-10-4(3-7)5(6)8-9-10/h2-3,7H2,1H3.
What are the key properties of (5-bromo-3-ethyltriazol-4-yl)methanamine?
(5-bromo-3-ethyltriazol-4-yl)methanamine has a molecular weight of 205.06 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-ethyltriazol-4-yl)methanamine is sourced from PubChem (CID 125458593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).