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

C13H14N6O — CID 106281055

IUPAC5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccc(N)cc12)c1ncn[nH]1
InChIInChI=1S/C13H14N6O/c1-7(12-16-6-17-19-12)18-13(20)10-5-15-11-3-2-8(14)4-9(10)11/h2-7,15H,14H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyDESPSRLLGZGENL-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.36
Rot. Bonds3

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

5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 106281055) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID106281055
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccc(N)cc12)c1ncn[nH]1
InChIInChI=1S/C13H14N6O/c1-7(12-16-6-17-19-12)18-13(20)10-5-15-11-3-2-8(14)4-9(10)11/h2-7,15H,14H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyDESPSRLLGZGENL-UHFFFAOYSA-N
XLogP1.36
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106281010
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide (CID 106281055) is 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2ccc(N)cc12)c1ncn[nH]1.
What is the InChIKey of 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is DESPSRLLGZGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7(12-16-6-17-19-12)18-13(20)10-5-15-11-3-2-8(14)4-9(10)11/h2-7,15H,14H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide?
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 106281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).