N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline

C13H19N5 — CID 105184667

IUPACN,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1cnnn1C
InChIInChI=1S/C13H19N5/c1-14-13(12-9-15-16-18(12)4)10-5-7-11(8-6-10)17(2)3/h5-9,13-14H,1-4H3
InChIKeyNUEIAOFOQMUQAC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.19
Rot. Bonds4

About N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline

N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 105184667) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
PubChem CID105184667
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1cnnn1C
InChIInChI=1S/C13H19N5/c1-14-13(12-9-15-16-18(12)4)10-5-7-11(8-6-10)17(2)3/h5-9,13-14H,1-4H3
InChIKeyNUEIAOFOQMUQAC-UHFFFAOYSA-N
XLogP1.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
[(4-methylsulfanylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337638
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline (CID 105184667) is N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline is CNC(c1ccc(N(C)C)cc1)c1cnnn1C.
What is the InChIKey of N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is NUEIAOFOQMUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-13(12-9-15-16-18(12)4)10-5-7-11(8-6-10)17(2)3/h5-9,13-14H,1-4H3.
What are the key properties of N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline?
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 105184667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).