3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone

C9H11BrN4O — CID 130921394

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)N1CC2CC2C1
InChIInChI=1S/C9H11BrN4O/c1-13-7(8(10)11-12-13)9(15)14-3-5-2-6(5)4-14/h5-6H,2-4H2,1H3
InChIKeyNZVGDORRDYXHAX-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.67
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone

3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 130921394) has the molecular formula C9H11BrN4O and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID130921394
Molecular FormulaC9H11BrN4O
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)N1CC2CC2C1
InChIInChI=1S/C9H11BrN4O/c1-13-7(8(10)11-12-13)9(15)14-3-5-2-6(5)4-14/h5-6H,2-4H2,1H3
InChIKeyNZVGDORRDYXHAX-UHFFFAOYSA-N
XLogP0.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 130597552
2-adamantyl-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464295
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464166
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
[4-(aminomethyl)cyclohexyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464204
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464163
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
tert-butyl 5-bromo-3-methyltriazole-4-carboxylate
CID 130597548

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone (CID 130921394) is 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is NZVGDORRDYXHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O/c1-13-7(8(10)11-12-13)9(15)14-3-5-2-6(5)4-14/h5-6H,2-4H2,1H3.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone?
3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 271.12 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130921394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).