4-(benzotriazol-2-yl)-N-propan-2-ylaniline

C15H16N4 — CID 727192

IUPAC4-(benzotriazol-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C15H16N4/c1-11(2)16-12-7-9-13(10-8-12)19-17-14-5-3-4-6-15(14)18-19/h3-11,16H,1-2H3
InChIKeyQJKMHPKLQHHDPH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.24
Rot. Bonds3

About 4-(benzotriazol-2-yl)-N-propan-2-ylaniline

4-(benzotriazol-2-yl)-N-propan-2-ylaniline (PubChem CID 727192) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-N-propan-2-ylaniline
PubChem CID727192
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(benzotriazol-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C15H16N4/c1-11(2)16-12-7-9-13(10-8-12)19-17-14-5-3-4-6-15(14)18-19/h3-11,16H,1-2H3
InChIKeyQJKMHPKLQHHDPH-UHFFFAOYSA-N
XLogP3.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(diethylamino)phenyl]-2H-1,2,3-benzotriazol-5-amine
CID 14349221
N-butylbenzotriazol-1-amine
CID 155560451
4-(2H-1,2,3-benzotriazol-2-yl)aniline
CID 830517
N-hexylbenzotriazol-1-amine
CID 155559982
1-Hexylbenzotriazole
CID 4202453
1-Cyclohexyl-1H-benzo[d][1,2,3]triazole
CID 3770740
Benzenamine, 2-(2H-benzotriazol-2-yl)-
CID 71030
1H-Benzotriazole, compd. with cyclohexanamine (1:1)
CID 56106
1-(piperidin-4-yl)-1H-1,2,3-benzotriazole
CID 2735464
alpha-Methyl-N-phenyl-1H-benzotriazole-1-methanamine
CID 3451461

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-N-propan-2-ylaniline?
The IUPAC name of 4-(benzotriazol-2-yl)-N-propan-2-ylaniline (CID 727192) is 4-(benzotriazol-2-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(benzotriazol-2-yl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(benzotriazol-2-yl)-N-propan-2-ylaniline is CC(C)Nc1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 4-(benzotriazol-2-yl)-N-propan-2-ylaniline?
The InChIKey is QJKMHPKLQHHDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(2)16-12-7-9-13(10-8-12)19-17-14-5-3-4-6-15(14)18-19/h3-11,16H,1-2H3.
What are the key properties of 4-(benzotriazol-2-yl)-N-propan-2-ylaniline?
4-(benzotriazol-2-yl)-N-propan-2-ylaniline has a molecular weight of 252.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 727192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).