1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine

C9H17BrN4 — CID 106463502

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1c(Br)nnn1C)NC
InChIInChI=1S/C9H17BrN4/c1-4-7(11-2)5-6-8-9(10)12-13-14(8)3/h7,11H,4-6H2,1-3H3
InChIKeyOVCNRZMFZZGGDR-UHFFFAOYSA-N
MW261.17 g/mol
LogP1.51
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine (PubChem CID 106463502) has the molecular formula C9H17BrN4 and a molecular weight of 261.17 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
PubChem CID106463502
Molecular FormulaC9H17BrN4
Molecular Weight261.17 g/mol
Exact Mass260.06
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine
SMILESCCC(CCc1c(Br)nnn1C)NC
InChIInChI=1S/C9H17BrN4/c1-4-7(11-2)5-6-8-9(10)12-13-14(8)3/h7,11H,4-6H2,1-3H3
InChIKeyOVCNRZMFZZGGDR-UHFFFAOYSA-N
XLogP1.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine (CID 106463502) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine is CCC(CCc1c(Br)nnn1C)NC.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine?
The InChIKey is OVCNRZMFZZGGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4/c1-4-7(11-2)5-6-8-9(10)12-13-14(8)3/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine has a molecular weight of 261.17 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 106463502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).