N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide

C15H16N6O2 — CID 112526094

IUPACN-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)nn1
InChIInChI=1S/C15H16N6O2/c1-2-14(22)18-13-8-21(20-19-13)9-15(23)17-11-3-4-12-10(7-11)5-6-16-12/h3-8,16H,2,9H2,1H3,(H,17,23)(H,18,22)
InChIKeyHAIJBQJYSWXHOA-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.75
Rot. Bonds5

About N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112526094) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112526094
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)nn1
InChIInChI=1S/C15H16N6O2/c1-2-14(22)18-13-8-21(20-19-13)9-15(23)17-11-3-4-12-10(7-11)5-6-16-12/h3-8,16H,2,9H2,1H3,(H,17,23)(H,18,22)
InChIKeyHAIJBQJYSWXHOA-UHFFFAOYSA-N
XLogP1.75
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
N-[4-(1H-indol-5-yl)phenyl]propanamide
CID 123570730
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-(1H-indazol-3-ylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112527931
N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527438
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122
2-(4-acetamidotriazol-1-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 112525667
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
methyl N-[1-[2-(1H-indol-7-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112526672

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide (CID 112526094) is N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)Nc2ccc3[nH]ccc3c2)nn1.
What is the InChIKey of N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is HAIJBQJYSWXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-2-14(22)18-13-8-21(20-19-13)9-15(23)17-11-3-4-12-10(7-11)5-6-16-12/h3-8,16H,2,9H2,1H3,(H,17,23)(H,18,22).
What are the key properties of N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 312.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-5-ylamino)-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112526094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).