1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

C14H14N4O3 — CID 80562650

IUPAC1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C(=O)N1CC(C(=O)O)c2ccccc21)n1cncn1
InChIInChI=1S/C14H14N4O3/c1-9(18-8-15-7-16-18)13(19)17-6-11(14(20)21)10-4-2-3-5-12(10)17/h2-5,7-9,11H,6H2,1H3,(H,20,21)
InChIKeyFXRVAWLOMQGOQG-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.05
Rot. Bonds3

About 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80562650) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80562650
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C(=O)N1CC(C(=O)O)c2ccccc21)n1cncn1
InChIInChI=1S/C14H14N4O3/c1-9(18-8-15-7-16-18)13(19)17-6-11(14(20)21)10-4-2-3-5-12(10)17/h2-5,7-9,11H,6H2,1H3,(H,20,21)
InChIKeyFXRVAWLOMQGOQG-UHFFFAOYSA-N
XLogP1.05
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid 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

1-(2-aminopropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564978
1-(5-amino-2-methylpentanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 115867162
1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565487
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963
(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 125140823
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 79410838
1-(2-butoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691226
(3S,4S)-4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 114085472
1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691674
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 36991296
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 82851509
1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-5-carboxylic acid
CID 43142328

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid (CID 80562650) is 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is CC(C(=O)N1CC(C(=O)O)c2ccccc21)n1cncn1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is FXRVAWLOMQGOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9(18-8-15-7-16-18)13(19)17-6-11(14(20)21)10-4-2-3-5-12(10)17/h2-5,7-9,11H,6H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)propanoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80562650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).