(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone

C7H10BrN5O — CID 130597552

IUPAC(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)N1CC(N)C1
InChIInChI=1S/C7H10BrN5O/c1-12-5(6(8)10-11-12)7(14)13-2-4(9)3-13/h4H,2-3,9H2,1H3
InChIKeyWCUSPQQDECYHJB-UHFFFAOYSA-N
MW260.09 g/mol
LogP-0.64
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone

(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 130597552) has the molecular formula C7H10BrN5O and a molecular weight of 260.09 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID130597552
Molecular FormulaC7H10BrN5O
Molecular Weight260.09 g/mol
Exact Mass259.01
IUPAC Name(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)N1CC(N)C1
InChIInChI=1S/C7H10BrN5O/c1-12-5(6(8)10-11-12)7(14)13-2-4(9)3-13/h4H,2-3,9H2,1H3
InChIKeyWCUSPQQDECYHJB-UHFFFAOYSA-N
XLogP-0.64
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone
CID 130921394
(2-aminocyclohexyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464163
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
[4-(aminomethyl)cyclohexyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464204
(3-amino-2-bicyclo[2.2.1]heptanyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464166
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
(1-aminocyclopentyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464088
1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 106464093
2-adamantyl-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464295
tert-butyl 5-bromo-3-methyltriazole-4-carboxylate
CID 130597548

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 130597552) is (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)N1CC(N)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is WCUSPQQDECYHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN5O/c1-12-5(6(8)10-11-12)7(14)13-2-4(9)3-13/h4H,2-3,9H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 260.09 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130597552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).