(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone

C10H15BrN4O — CID 106464163

IUPAC(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)C1CCCCC1N
InChIInChI=1S/C10H15BrN4O/c1-15-8(10(11)13-14-15)9(16)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyOTHYRUDGNURURZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.28
Rot. Bonds2

About (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone

(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 106464163) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID106464163
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)C1CCCCC1N
InChIInChI=1S/C10H15BrN4O/c1-15-8(10(11)13-14-15)9(16)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3
InChIKeyOTHYRUDGNURURZ-UHFFFAOYSA-N
XLogP1.28
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464166
[4-(aminomethyl)cyclohexyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464204
(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 130597552
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
(2-aminocyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114669670
2-adamantyl-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464295
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
(2-aminocyclohexyl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114669674
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 106464163) is (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)C1CCCCC1N.
What is the InChIKey of (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is OTHYRUDGNURURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-15-8(10(11)13-14-15)9(16)6-4-2-3-5-7(6)12/h6-7H,2-5,12H2,1H3.
What are the key properties of (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 287.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 106464163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).