2-[4-(dimethylamino)phenyl]benzotriazol-5-amine

C14H15N5 — CID 5205049

IUPAC2-[4-(dimethylamino)phenyl]benzotriazol-5-amine
SMILESCN(C)c1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C14H15N5/c1-18(2)11-4-6-12(7-5-11)19-16-13-8-3-10(15)9-14(13)17-19/h3-9H,15H2,1-2H3
InChIKeyQJKALTJSEYVQQJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.07
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine

2-[4-(dimethylamino)phenyl]benzotriazol-5-amine (PubChem CID 5205049) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]benzotriazol-5-amine
PubChem CID5205049
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[4-(dimethylamino)phenyl]benzotriazol-5-amine
SMILESCN(C)c1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C14H15N5/c1-18(2)11-4-6-12(7-5-11)19-16-13-8-3-10(15)9-14(13)17-19/h3-9H,15H2,1-2H3
InChIKeyQJKALTJSEYVQQJ-UHFFFAOYSA-N
XLogP2.07
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluorophenyl)-2H-benzotriazol-5-amine
CID 721127
2-{4-[(Methylethyl)amino]phenyl}-2-hydrobenzotriazol-1-ol
CID 727193
1-Phenyl-1H-benzo[d][1,2,3]triazol-5-amine
CID 231705
2-Phenyl-2H-benzotriazol-5-ylamine
CID 721090
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
5-Amino-2-(p-tolyl)-2h-benzotriazole
CID 721095
2-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
4-(2H-1,2,3-benzotriazol-2-yl)aniline
CID 830517
2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine (CID 5205049) is 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine is CN(C)c1ccc(-n2nc3ccc(N)cc3n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine?
The InChIKey is QJKALTJSEYVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18(2)11-4-6-12(7-5-11)19-16-13-8-3-10(15)9-14(13)17-19/h3-9H,15H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine?
2-[4-(dimethylamino)phenyl]benzotriazol-5-amine has a molecular weight of 253.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]benzotriazol-5-amine is sourced from PubChem (CID 5205049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).