3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C16H19N5O — CID 71868691

IUPAC3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCN(Cc1ncnn1C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C16H19N5O/c1-19(11-15-17-12-18-20(15)2)16(22)8-10-21-9-7-13-5-3-4-6-14(13)21/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyTZBAEZATZUDNNY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.82
Rot. Bonds5

About 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide

3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 71868691) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID71868691
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCN(Cc1ncnn1C)C(=O)CCn1ccc2ccccc21
InChIInChI=1S/C16H19N5O/c1-19(11-15-17-12-18-20(15)2)16(22)8-10-21-9-7-13-5-3-4-6-14(13)21/h3-7,9,12H,8,10-11H2,1-2H3
InChIKeyTZBAEZATZUDNNY-UHFFFAOYSA-N
XLogP1.82
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 71868691) is 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide is CN(Cc1ncnn1C)C(=O)CCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is TZBAEZATZUDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-19(11-15-17-12-18-20(15)2)16(22)8-10-21-9-7-13-5-3-4-6-14(13)21/h3-7,9,12H,8,10-11H2,1-2H3.
What are the key properties of 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 71868691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).