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

C7H11BrN4 — CID 170600172

IUPAC1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nn(C2CC2)nc1Br
InChIInChI=1S/C7H11BrN4/c1-9-4-6-7(8)11-12(10-6)5-2-3-5/h5,9H,2-4H2,1H3
InChIKeyFNFDBKWMAMDYRP-UHFFFAOYSA-N
MW231.10 g/mol
LogP1.09
Rot. Bonds3

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

1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine (PubChem CID 170600172) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine
PubChem CID170600172
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC Name1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine
SMILESCNCc1nn(C2CC2)nc1Br
InChIInChI=1S/C7H11BrN4/c1-9-4-6-7(8)11-12(10-6)5-2-3-5/h5,9H,2-4H2,1H3
InChIKeyFNFDBKWMAMDYRP-UHFFFAOYSA-N
XLogP1.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 51.09
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-cyclopropyltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine (CID 170600172) is 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine is CNCc1nn(C2CC2)nc1Br.
What is the InChIKey of 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine?
The InChIKey is FNFDBKWMAMDYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4/c1-9-4-6-7(8)11-12(10-6)5-2-3-5/h5,9H,2-4H2,1H3.
What are the key properties of 1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine?
1-(5-bromo-2-cyclopropyltriazol-4-yl)-N-methylmethanamine has a molecular weight of 231.10 g/mol, XLogP of 1.09, 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-cyclopropyltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 170600172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).