[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C20H21N5O — CID 120745397

IUPAC[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESNC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21N5O/c21-11-16-13-24(14-18(16)15-7-3-1-4-8-15)20(26)19-12-22-25(23-19)17-9-5-2-6-10-17/h1-10,12,16,18H,11,13-14,21H2/t16-,18+/m1/s1
InChIKeyHKCGGDIJBQRMIT-AEFFLSMTSA-N
MW347.42 g/mol
LogP2.08
Rot. Bonds4

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 120745397) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID120745397
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESNC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H21N5O/c21-11-16-13-24(14-18(16)15-7-3-1-4-8-15)20(26)19-12-22-25(23-19)17-9-5-2-6-10-17/h1-10,12,16,18H,11,13-14,21H2/t16-,18+/m1/s1
InChIKeyHKCGGDIJBQRMIT-AEFFLSMTSA-N
XLogP2.08
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone 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

(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 120741824
[6-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 120743988
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 120660181
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120743043
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 120744615
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 120745179
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120742851
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120745462
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone;hydrochloride
CID 120742000

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 120745397) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone is NC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is HKCGGDIJBQRMIT-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H21N5O/c21-11-16-13-24(14-18(16)15-7-3-1-4-8-15)20(26)19-12-22-25(23-19)17-9-5-2-6-10-17/h1-10,12,16,18H,11,13-14,21H2/t16-,18+/m1/s1.
What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 120745397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).