N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline

C20H25N5 — CID 84591762

IUPACN,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N(C)C)c1)Cc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C20H25N5/c1-23(2)18-12-8-9-16(13-18)14-24(3)15-19-21-22-20(25(19)4)17-10-6-5-7-11-17/h5-13H,14-15H2,1-4H3
InChIKeyHIGIVXOOKHAPQJ-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.18
Rot. Bonds6

About N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline

N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline (PubChem CID 84591762) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline
PubChem CID84591762
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline
SMILESCN(Cc1cccc(N(C)C)c1)Cc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C20H25N5/c1-23(2)18-12-8-9-16(13-18)14-24(3)15-19-21-22-20(25(19)4)17-10-6-5-7-11-17/h5-13H,14-15H2,1-4H3
InChIKeyHIGIVXOOKHAPQJ-UHFFFAOYSA-N
XLogP3.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline?
The IUPAC name of N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline (CID 84591762) is N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline is CN(Cc1cccc(N(C)C)c1)Cc1nnc(-c2ccccc2)n1C.
What is the InChIKey of N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline?
The InChIKey is HIGIVXOOKHAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-23(2)18-12-8-9-16(13-18)14-24(3)15-19-21-22-20(25(19)4)17-10-6-5-7-11-17/h5-13H,14-15H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline?
N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline has a molecular weight of 335.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 84591762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).