3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide

C11H13N3O — CID 53324620

IUPAC3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
SMILES[3H]C([3H])(N)C([3H])([3H])c1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)/i3T2,4T2
InChIKeyWKZLNEWVIAGNAW-DOMYTETQSA-N
MW211.28 g/mol
LogP0.77
Rot. Bonds3

About 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide

3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide (PubChem CID 53324620) has the molecular formula C11H13N3O and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
PubChem CID53324620
Molecular FormulaC11H13N3O
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide
SMILES[3H]C([3H])(N)C([3H])([3H])c1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)/i3T2,4T2
InChIKeyWKZLNEWVIAGNAW-DOMYTETQSA-N
XLogP0.77
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
CID 11709509
bis(3-(2-aminoethyl)-1H-indole-5-carboxamide);bis((Z)-but-2-enedioic acid);ethanol
CID 71308727
3-(2-aminoethyl)-1H-indole-5-carboxamide;(E)-but-2-enedioic acid;ethanol
CID 166640054
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
3H-benzo[e]indole-8-carboxamide
CID 141139150
3-(fluoromethyl)-1H-indole-5-carboxylic acid
CID 84664507
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
CID 88521979
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide?
The IUPAC name of 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide (CID 53324620) is 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide is [3H]C([3H])(N)C([3H])([3H])c1c[nH]c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide?
The InChIKey is WKZLNEWVIAGNAW-DOMYTETQSA-N. The full InChI is InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)/i3T2,4T2.
What are the key properties of 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide?
3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide has a molecular weight of 211.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 53324620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).