1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine

C6H11BrN4 — CID 168792942

IUPAC1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(Br)c(CNC)n1
InChIInChI=1S/C6H11BrN4/c1-3-11-9-5(4-8-2)6(7)10-11/h8H,3-4H2,1-2H3
InChIKeyJWUAJDDYAYIKSH-UHFFFAOYSA-N
MW219.09 g/mol
LogP0.78
Rot. Bonds3

About 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine

1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine (PubChem CID 168792942) has the molecular formula C6H11BrN4 and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine
PubChem CID168792942
Molecular FormulaC6H11BrN4
Molecular Weight219.09 g/mol
Exact Mass218.02
IUPAC Name1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(Br)c(CNC)n1
InChIInChI=1S/C6H11BrN4/c1-3-11-9-5(4-8-2)6(7)10-11/h8H,3-4H2,1-2H3
InChIKeyJWUAJDDYAYIKSH-UHFFFAOYSA-N
XLogP0.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine (CID 168792942) is 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine is CCn1nc(Br)c(CNC)n1.
What is the InChIKey of 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine?
The InChIKey is JWUAJDDYAYIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN4/c1-3-11-9-5(4-8-2)6(7)10-11/h8H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine?
1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine has a molecular weight of 219.09 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethyltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 168792942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).