1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine

C7H13N3O — CID 59068377

IUPAC1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine
SMILES[3H]OCC(Cc1cnc[nH]1)NC
InChIInChI=1S/C7H13N3O/c1-8-7(4-11)2-6-3-9-5-10-6/h3,5,7-8,11H,2,4H2,1H3,(H,9,10)/i11T
InChIKeyMQPNGCUDSUWPCW-KNWSOFMKSA-N
MW157.21 g/mol
LogP-0.47
Rot. Bonds5

About 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine

1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine (PubChem CID 59068377) has the molecular formula C7H13N3O and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine
PubChem CID59068377
Molecular FormulaC7H13N3O
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine
SMILES[3H]OCC(Cc1cnc[nH]1)NC
InChIInChI=1S/C7H13N3O/c1-8-7(4-11)2-6-3-9-5-10-6/h3,5,7-8,11H,2,4H2,1H3,(H,9,10)/i11T
InChIKeyMQPNGCUDSUWPCW-KNWSOFMKSA-N
XLogP-0.47
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine 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

(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]propanamide
CID 58213399
[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl] 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 175257691
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
3-(1H-imidazol-5-yl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 59845993
ethyl (2R)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 130225450
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
CID 53261870
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine (CID 59068377) is 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine is [3H]OCC(Cc1cnc[nH]1)NC.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine?
The InChIKey is MQPNGCUDSUWPCW-KNWSOFMKSA-N. The full InChI is InChI=1S/C7H13N3O/c1-8-7(4-11)2-6-3-9-5-10-6/h3,5,7-8,11H,2,4H2,1H3,(H,9,10)/i11T.
What are the key properties of 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine?
1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine has a molecular weight of 157.21 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-methyl-3-tritiooxypropan-2-amine is sourced from PubChem (CID 59068377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).