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

C5H9BrN4 — CID 164903023

IUPAC1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nn(C)nc1Br
InChIInChI=1S/C5H9BrN4/c1-7-3-4-5(6)9-10(2)8-4/h7H,3H2,1-2H3
InChIKeyRJZDOBKUEBRRHQ-UHFFFAOYSA-N
MW205.06 g/mol
LogP0.30
Rot. Bonds2

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

1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine (PubChem CID 164903023) has the molecular formula C5H9BrN4 and a molecular weight of 205.06 g/mol. Its IUPAC name is 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine
PubChem CID164903023
Molecular FormulaC5H9BrN4
Molecular Weight205.06 g/mol
Exact Mass204.00
IUPAC Name1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nn(C)nc1Br
InChIInChI=1S/C5H9BrN4/c1-7-3-4-5(6)9-10(2)8-4/h7H,3H2,1-2H3
InChIKeyRJZDOBKUEBRRHQ-UHFFFAOYSA-N
XLogP0.30
TPSA42.74 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 ≤ 50.30
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-methyltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine (CID 164903023) is 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine is CNCc1nn(C)nc1Br.
What is the InChIKey of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine?
The InChIKey is RJZDOBKUEBRRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4/c1-7-3-4-5(6)9-10(2)8-4/h7H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine?
1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine has a molecular weight of 205.06 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 164903023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).