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

C19H22N4 — CID 11522389

IUPACN,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
SMILESCN(C)c1ccc(-c2nnc(CCc3ccccc3)n2C)cc1
InChIInChI=1S/C19H22N4/c1-22(2)17-12-10-16(11-13-17)19-21-20-18(23(19)3)14-9-15-7-5-4-6-8-15/h4-8,10-13H,9,14H2,1-3H3
InChIKeyVALQMZOGEDAEQG-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.33
Rot. Bonds5

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

N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline (PubChem CID 11522389) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
PubChem CID11522389
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
SMILESCN(C)c1ccc(-c2nnc(CCc3ccccc3)n2C)cc1
InChIInChI=1S/C19H22N4/c1-22(2)17-12-10-16(11-13-17)19-21-20-18(23(19)3)14-9-15-7-5-4-6-8-15/h4-8,10-13H,9,14H2,1-3H3
InChIKeyVALQMZOGEDAEQG-UHFFFAOYSA-N
XLogP3.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[methyl-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]methyl]aniline
CID 84591762
4-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 17384096
4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 3228104
5-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 143268175
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 155539497
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126691
2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 838605
2-[4-[[5-[4-(dimethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]propanoic acid
CID 175428005
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
2-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82128879
4-(5-benzyl-4-methyl-1,2,4-triazol-3-yl)-1H-pyridine-2-thione
CID 175273278

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline (CID 11522389) is N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline is CN(C)c1ccc(-c2nnc(CCc3ccccc3)n2C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline?
The InChIKey is VALQMZOGEDAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-22(2)17-12-10-16(11-13-17)19-21-20-18(23(19)3)14-9-15-7-5-4-6-8-15/h4-8,10-13H,9,14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline?
N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline has a molecular weight of 306.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline is sourced from PubChem (CID 11522389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).