1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

C21H22N4O2 — CID 50952980

IUPAC1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc2c(c1)OCO2)c1nc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-24(2)19(15-10-11-17-18(12-15)27-13-26-17)21-22-20(14-8-9-14)23-25(21)16-6-4-3-5-7-16/h3-7,10-12,14,19H,8-9,13H2,1-2H3
InChIKeyFJHVJFSDZPGAMY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.52
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (PubChem CID 50952980) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
PubChem CID50952980
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc2c(c1)OCO2)c1nc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-24(2)19(15-10-11-17-18(12-15)27-13-26-17)21-22-20(14-8-9-14)23-25(21)16-6-4-3-5-7-16/h3-7,10-12,14,19H,8-9,13H2,1-2H3
InChIKeyFJHVJFSDZPGAMY-UHFFFAOYSA-N
XLogP3.52
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine 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

1-(1,3-benzodioxol-5-yl)-3-cyclopropyl-5-[(1R)-1-ethylsulfonylethyl]-1,2,4-triazole
CID 95137669
(1R)-1-(1,3-benzodioxol-5-yl)-1-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 97113439
(1S)-1-(1,3-benzodioxol-5-yl)-1-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 97113438
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-cyclopropyl-1-phenyl-1,2,4-triazole
CID 7420557
N-[[2-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 50969979
N-[1-(1,3-benzodioxol-5-yl)ethyl]aniline
CID 42841562
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110626565
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110626566
(2S)-2-[[2-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylmorpholine
CID 95125634
1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4201859
1,3-benzodioxol-5-yl-[phenyl-bis(trimethylsilyl)silyl]methanol
CID 23583843

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine (CID 50952980) is 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is CN(C)C(c1ccc2c(c1)OCO2)c1nc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is FJHVJFSDZPGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(2)19(15-10-11-17-18(12-15)27-13-26-17)21-22-20(14-8-9-14)23-25(21)16-6-4-3-5-7-16/h3-7,10-12,14,19H,8-9,13H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine?
1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 362.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1-(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 50952980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).