(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C21H27N5O — CID 97433972

IUPAC(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1
InChIInChI=1S/C21H27N5O/c1-24(2)18-11-12-25(15-18)16-20-22-21(19-9-6-14-27-19)23-26(20)13-10-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyFBMMAFWWFCKQFC-GOSISDBHSA-N
MW365.48 g/mol
LogP2.92
Rot. Bonds7

About (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 97433972) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID97433972
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1
InChIInChI=1S/C21H27N5O/c1-24(2)18-11-12-25(15-18)16-20-22-21(19-9-6-14-27-19)23-26(20)13-10-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyFBMMAFWWFCKQFC-GOSISDBHSA-N
XLogP2.92
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Related Compounds

(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
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
N-butyl-N-methyl-1-(2-phenylethyl)piperidin-4-amine
CID 2057989
[(4aR,8aS)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-[4-(furan-2-yl)phenyl]methanone
CID 26343798

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 97433972) is (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2nc(-c3ccco3)nn2CCc2ccccc2)C1.
What is the InChIKey of (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FBMMAFWWFCKQFC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24(2)18-11-12-25(15-18)16-20-22-21(19-9-6-14-27-19)23-26(20)13-10-17-7-4-3-5-8-17/h3-9,14,18H,10-13,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 365.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(furan-2-yl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 97433972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).