3-amino-2-selanylpropanenitrile;hydrobromide

C3H7BrN2Se — CID 175063726

IUPAC3-amino-2-selanylpropanenitrile;hydrobromide
SMILESBr.N#CC([SeH])CN
InChIInChI=1S/C3H6N2Se.BrH/c4-1-3(6)2-5;/h3,6H,1,4H2;1H
InChIKeyHBSOCIWPWNSDAY-UHFFFAOYSA-N
MW229.97 g/mol
LogP-0.26
Rot. Bonds1

About 3-amino-2-selanylpropanenitrile;hydrobromide

3-amino-2-selanylpropanenitrile;hydrobromide (PubChem CID 175063726) has the molecular formula C3H7BrN2Se and a molecular weight of 229.97 g/mol. Its IUPAC name is 3-amino-2-selanylpropanenitrile;hydrobromide.

Molecular Properties

Compound Name3-amino-2-selanylpropanenitrile;hydrobromide
PubChem CID175063726
Molecular FormulaC3H7BrN2Se
Molecular Weight229.97 g/mol
Exact Mass229.90
IUPAC Name3-amino-2-selanylpropanenitrile;hydrobromide
SMILESBr.N#CC([SeH])CN
InChIInChI=1S/C3H6N2Se.BrH/c4-1-3(6)2-5;/h3,6H,1,4H2;1H
InChIKeyHBSOCIWPWNSDAY-UHFFFAOYSA-N
XLogP-0.26
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.97
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-selanylbutanenitrile
CID 175358380
(2R,3R)-4-amino-2,3-dimethylbutanenitrile;hydrate
CID 141007574
3,4-diaminobutane-1,1,1,2-tetracarbonitrile
CID 21420545
bis(1,3-diaminopropan-2-ol);nickel(2+);dithiocyanate
CID 161084268
2-(3-aminopropylamino)propanenitrile
CID 62273858
2,3-diaminobutanedinitrile
CID 14416612
2-methylpropan-1-amine;dihydrobromide
CID 172812560
2-amino-2-sulfanylacetonitrile
CID 57435249
2-bromopropane-1,3-diamine;dihydrobromide
CID 517709
N-[(2R)-1-aminopropan-2-yl]-1-cyanomethanesulfonamide
CID 104877235
2-(1-cyanoethyl-fluoro-methyl-λ4-sulfanyl)propanenitrile
CID 131971232
2,4-difluorobutanenitrile
CID 175233038

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-selanylpropanenitrile;hydrobromide?
The IUPAC name of 3-amino-2-selanylpropanenitrile;hydrobromide (CID 175063726) is 3-amino-2-selanylpropanenitrile;hydrobromide.
What is the SMILES notation for 3-amino-2-selanylpropanenitrile;hydrobromide?
The canonical SMILES for 3-amino-2-selanylpropanenitrile;hydrobromide is Br.N#CC([SeH])CN.
What is the InChIKey of 3-amino-2-selanylpropanenitrile;hydrobromide?
The InChIKey is HBSOCIWPWNSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2Se.BrH/c4-1-3(6)2-5;/h3,6H,1,4H2;1H.
What are the key properties of 3-amino-2-selanylpropanenitrile;hydrobromide?
3-amino-2-selanylpropanenitrile;hydrobromide has a molecular weight of 229.97 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-selanylpropanenitrile;hydrobromide is sourced from PubChem (CID 175063726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).