1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine

C8H14BrN5 — CID 106463347

IUPAC1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine
SMILESCn1nnc(Br)c1N1CCC(N)CC1
InChIInChI=1S/C8H14BrN5/c1-13-8(7(9)11-12-13)14-4-2-6(10)3-5-14/h6H,2-5,10H2,1H3
InChIKeyNGTMVZZHSRXRBH-UHFFFAOYSA-N
MW260.14 g/mol
LogP0.51
Rot. Bonds1

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

1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine (PubChem CID 106463347) has the molecular formula C8H14BrN5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine
PubChem CID106463347
Molecular FormulaC8H14BrN5
Molecular Weight260.14 g/mol
Exact Mass259.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine
SMILESCn1nnc(Br)c1N1CCC(N)CC1
InChIInChI=1S/C8H14BrN5/c1-13-8(7(9)11-12-13)14-4-2-6(10)3-5-14/h6H,2-5,10H2,1H3
InChIKeyNGTMVZZHSRXRBH-UHFFFAOYSA-N
XLogP0.51
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
CID 67439094
3-(5-bromo-3-methyltriazol-4-yl)-N,3-dimethylcyclopentan-1-amine
CID 106463546
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464166
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
4-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468404
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464163
1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779084
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
[4-(aminomethyl)cyclohexyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine (CID 106463347) is 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine is Cn1nnc(Br)c1N1CCC(N)CC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine?
The InChIKey is NGTMVZZHSRXRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5/c1-13-8(7(9)11-12-13)14-4-2-6(10)3-5-14/h6H,2-5,10H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine?
1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine has a molecular weight of 260.14 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 106463347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).