3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol

C10H12N2O — CID 53317992

IUPAC3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
SMILES[3H]C(N)C([3H])c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/i3T,4T
InChIKeyQZAYGJVTTNCVMB-PZFLKRBQSA-N
MW180.24 g/mol
LogP1.37
Rot. Bonds2

About 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol

3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol (PubChem CID 53317992) has the molecular formula C10H12N2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
PubChem CID53317992
Molecular FormulaC10H12N2O
Molecular Weight180.24 g/mol
Exact Mass180.11
IUPAC Name3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
SMILES[3H]C(N)C([3H])c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/i3T,4T
InChIKeyQZAYGJVTTNCVMB-PZFLKRBQSA-N
XLogP1.37
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl fluoride
CID 144798694
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol?
The IUPAC name of 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol (CID 53317992) is 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol.
What is the SMILES notation for 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol?
The canonical SMILES for 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol is [3H]C(N)C([3H])c1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol?
The InChIKey is QZAYGJVTTNCVMB-PZFLKRBQSA-N. The full InChI is InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/i3T,4T.
What are the key properties of 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol?
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol has a molecular weight of 180.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol is sourced from PubChem (CID 53317992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).