1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine

C11H19BrN4 — CID 106464757

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
SMILESCn1nnc(Br)c1C(N)CC1CCCCC1
InChIInChI=1S/C11H19BrN4/c1-16-10(11(12)14-15-16)9(13)7-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3
InChIKeyMQJKKBUFBBQLDD-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine

1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine (PubChem CID 106464757) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
PubChem CID106464757
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
SMILESCn1nnc(Br)c1C(N)CC1CCCCC1
InChIInChI=1S/C11H19BrN4/c1-16-10(11(12)14-15-16)9(13)7-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3
InChIKeyMQJKKBUFBBQLDD-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
CID 106462514
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 106466425
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine (CID 106464757) is 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine is Cn1nnc(Br)c1C(N)CC1CCCCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine?
The InChIKey is MQJKKBUFBBQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-16-10(11(12)14-15-16)9(13)7-8-5-3-2-4-6-8/h8-9H,2-7,13H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.55, 3 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)-2-cyclohexylethanamine is sourced from PubChem (CID 106464757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).