(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine

C5H9N3 — CID 25239956

IUPAC(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
SMILES[3H][C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/i2T/t2-/m0/s1
InChIKeyNTYJJOPFIAHURM-YEIUISBRSA-N
MW113.16 g/mol
LogP-0.09
Rot. Bonds2

About (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine

(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine (PubChem CID 25239956) has the molecular formula C5H9N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine.

Molecular Properties

Compound Name(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
PubChem CID25239956
Molecular FormulaC5H9N3
Molecular Weight113.16 g/mol
Exact Mass113.09
IUPAC Name(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
SMILES[3H][C@H](N)Cc1cnc[nH]1
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/i2T/t2-/m0/s1
InChIKeyNTYJJOPFIAHURM-YEIUISBRSA-N
XLogP-0.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
1H-imidazole-5-carbonitrile;1H-imidazol-5-ylmethanamine
CID 167606702
5-hexyl-1H-imidazole
CID 14225142
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine?
The IUPAC name of (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine (CID 25239956) is (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine.
What is the SMILES notation for (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine?
The canonical SMILES for (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine is [3H][C@H](N)Cc1cnc[nH]1.
What is the InChIKey of (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine?
The InChIKey is NTYJJOPFIAHURM-YEIUISBRSA-N. The full InChI is InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/i2T/t2-/m0/s1.
What are the key properties of (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine?
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine is sourced from PubChem (CID 25239956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).