1-bromotriazolidine

C2H6BrN3 — CID 151251574

IUPAC1-bromotriazolidine
SMILESBrN1CCNN1
InChIInChI=1S/C2H6BrN3/c3-6-2-1-4-5-6/h4-5H,1-2H2
InChIKeyNSLDLDCNYDCTET-UHFFFAOYSA-N
MW151.99 g/mol
LogP-0.38
Rot. Bonds

About 1-bromotriazolidine

1-bromotriazolidine (PubChem CID 151251574) has the molecular formula C2H6BrN3 and a molecular weight of 151.99 g/mol. Its IUPAC name is 1-bromotriazolidine.

Molecular Properties

Compound Name1-bromotriazolidine
PubChem CID151251574
Molecular FormulaC2H6BrN3
Molecular Weight151.99 g/mol
Exact Mass150.97
IUPAC Name1-bromotriazolidine
SMILESBrN1CCNN1
InChIInChI=1S/C2H6BrN3/c3-6-2-1-4-5-6/h4-5H,1-2H2
InChIKeyNSLDLDCNYDCTET-UHFFFAOYSA-N
XLogP-0.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.99
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

CID 159857150
CID 159857150
triazinan-1-amine
CID 20559076
2-(triazinan-1-yl)acetonitrile
CID 141076856
1-methanidylpiperazine
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1-methylimidazolidine-2-thione
CID 2733224
bromoform;1,4-diazabicyclo[2.2.2]octane
CID 139188827
tris(1,4-diazabicyclo[2.2.2]octane);trihydrate
CID 139060935
copper(1+);1,4-diazabicyclo[2.2.2]octane
CID 10192600
(2S)-1-bromo-2-methylaziridine
CID 134926712
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
1-ethoxyimidazolidine-2-thione
CID 150378710
1-(piperidin-1-ylmethyl)piperazine
CID 20508970

Frequently Asked Questions

What is the IUPAC name of 1-bromotriazolidine?
The IUPAC name of 1-bromotriazolidine (CID 151251574) is 1-bromotriazolidine.
What is the SMILES notation for 1-bromotriazolidine?
The canonical SMILES for 1-bromotriazolidine is BrN1CCNN1.
What is the InChIKey of 1-bromotriazolidine?
The InChIKey is NSLDLDCNYDCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BrN3/c3-6-2-1-4-5-6/h4-5H,1-2H2.
What are the key properties of 1-bromotriazolidine?
1-bromotriazolidine has a molecular weight of 151.99 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromotriazolidine is sourced from PubChem (CID 151251574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).