3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

C13H14N6O — CID 62794556

IUPAC3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H14N6O/c14-13-17-11(18-19-13)12(20)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H3,14,17,18,19)
InChIKeyLYSXMOOPHBBCNL-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.84
Rot. Bonds4

About 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794556) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794556
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H14N6O/c14-13-17-11(18-19-13)12(20)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H3,14,17,18,19)
InChIKeyLYSXMOOPHBBCNL-UHFFFAOYSA-N
XLogP0.84
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
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CID 17418655
N-[2-(1H-indol-3-yl)ethyl]-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 110702006
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 62794556) is 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LYSXMOOPHBBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-13-17-11(18-19-13)12(20)15-6-5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6H2,(H,15,20)(H3,14,17,18,19).
What are the key properties of 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).