N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide

C14H17N5O2 — CID 112520407

IUPACN-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c1-10(2)14(21)16-12-8-19(18-17-12)9-13(20)15-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyQHXPXYBWKVSIQH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.51
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide

N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide (PubChem CID 112520407) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
PubChem CID112520407
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C14H17N5O2/c1-10(2)14(21)16-12-8-19(18-17-12)9-13(20)15-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyQHXPXYBWKVSIQH-UHFFFAOYSA-N
XLogP1.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide 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

N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514
N-[1-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525817
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide (CID 112520407) is N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1cn(CC(=O)Nc2ccccc2)nn1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide?
The InChIKey is QHXPXYBWKVSIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10(2)14(21)16-12-8-19(18-17-12)9-13(20)15-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide?
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide has a molecular weight of 287.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 112520407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).