(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine

C16H21F3N6 — CID 97452395

IUPAC(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2nc(-c3ccncc3)nn2CC(F)(F)F)C1
InChIInChI=1S/C16H21F3N6/c1-23(2)13-5-8-24(9-13)10-14-21-15(12-3-6-20-7-4-12)22-25(14)11-16(17,18)19/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyPARKJUMJKDHFTA-CYBMUJFWSA-N
MW354.38 g/mol
LogP2.04
Rot. Bonds5

About (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 97452395) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
PubChem CID97452395
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2nc(-c3ccncc3)nn2CC(F)(F)F)C1
InChIInChI=1S/C16H21F3N6/c1-23(2)13-5-8-24(9-13)10-14-21-15(12-3-6-20-7-4-12)22-25(14)11-16(17,18)19/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyPARKJUMJKDHFTA-CYBMUJFWSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine (CID 97452395) is (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2nc(-c3ccncc3)nn2CC(F)(F)F)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is PARKJUMJKDHFTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-23(2)13-5-8-24(9-13)10-14-21-15(12-3-6-20-7-4-12)22-25(14)11-16(17,18)19/h3-4,6-7,13H,5,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 354.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[[5-pyridin-4-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97452395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).