2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide

C16H21N5O — CID 119512728

IUPAC2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCN2)nnn1-c1ccccc1
InChIInChI=1S/C16H21N5O/c1-12-15(10-16(22)18-11-13-6-5-9-17-13)19-20-21(12)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-11H2,1H3,(H,18,22)
InChIKeyCNNODEKMLNWUGF-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.99
Rot. Bonds5

About 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide

2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119512728) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119512728
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCN2)nnn1-c1ccccc1
InChIInChI=1S/C16H21N5O/c1-12-15(10-16(22)18-11-13-6-5-9-17-13)19-20-21(12)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-11H2,1H3,(H,18,22)
InChIKeyCNNODEKMLNWUGF-UHFFFAOYSA-N
XLogP0.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507
cis-(1R,3S)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678634
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
CID 146124225
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 120831900
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
1-(4-bromophenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide
CID 119514720
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119512728) is 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide is Cc1c(CC(=O)NCC2CCCN2)nnn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is CNNODEKMLNWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-15(10-16(22)18-11-13-6-5-9-17-13)19-20-21(12)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-11H2,1H3,(H,18,22).
What are the key properties of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 299.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119512728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).