ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate

C15H16N6O3 — CID 112526366

IUPACethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)19-13-8-17-21(20-13)9-14(22)18-12-5-3-4-11-10(12)6-7-16-11/h3-8,16H,2,9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyJWVTYRDYVIFXGW-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.97
Rot. Bonds5

About ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate

ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112526366) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112526366
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Nameethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
SMILESCCOC(=O)Nc1cnn(CC(=O)Nc2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H16N6O3/c1-2-24-15(23)19-13-8-17-21(20-13)9-14(22)18-12-5-3-4-11-10(12)6-7-16-11/h3-8,16H,2,9H2,1H3,(H,18,22)(H,19,20,23)
InChIKeyJWVTYRDYVIFXGW-UHFFFAOYSA-N
XLogP1.97
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
ethyl N-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112522203
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-4-yl)acetamide
CID 112526516
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547
ethyl N-[2-[2-(4-aminoindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526365
ethyl N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112523331
methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112527147
ethyl N-[2-[2-[[4-(aminomethyl)phenyl]sulfonylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112521966
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate (CID 112526366) is ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate is CCOC(=O)Nc1cnn(CC(=O)Nc2cccc3[nH]ccc23)n1.
What is the InChIKey of ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is JWVTYRDYVIFXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-24-15(23)19-13-8-17-21(20-13)9-14(22)18-12-5-3-4-11-10(12)6-7-16-11/h3-8,16H,2,9H2,1H3,(H,18,22)(H,19,20,23).
What are the key properties of ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate?
ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 328.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(1H-indol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).