3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C16H19N5O — CID 91638947

IUPAC3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H19N5O/c1-10(2)15-19-16(21-20-15)18-14(22)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyADDYKXQIYVJDLE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.98
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 91638947) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID91638947
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)c1nc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C16H19N5O/c1-10(2)15-19-16(21-20-15)18-14(22)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyADDYKXQIYVJDLE-UHFFFAOYSA-N
XLogP2.98
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 91638947) is 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)c1nc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is ADDYKXQIYVJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)15-19-16(21-20-15)18-14(22)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 91638947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).