2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide

C16H22N6O2 — CID 119040618

IUPAC2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCC2c2nc(N)n(C)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-16(17)19-15(20-21)13-7-4-8-22(13)10-14(23)18-11-5-3-6-12(9-11)24-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,23)(H2,17,19,20)
InChIKeyQGQGSBRTAUZPGQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 119040618) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID119040618
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCC2c2nc(N)n(C)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-16(17)19-15(20-21)13-7-4-8-22(13)10-14(23)18-11-5-3-6-12(9-11)24-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,23)(H2,17,19,20)
InChIKeyQGQGSBRTAUZPGQ-UHFFFAOYSA-N
XLogP1.18
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide 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

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
2-[2-(aminomethyl)azepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 116640393
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17495586
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
N-(3-cyanophenyl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835101
N-(3-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8835103
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 119040618) is 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCCC2c2nc(N)n(C)n2)c1.
What is the InChIKey of 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QGQGSBRTAUZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-16(17)19-15(20-21)13-7-4-8-22(13)10-14(23)18-11-5-3-6-12(9-11)24-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,18,23)(H2,17,19,20).
What are the key properties of 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 119040618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).