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

C16H19N5 — CID 14349221

IUPAC2-[4-(diethylamino)phenyl]benzotriazol-5-amine
SMILESCCN(CC)c1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C16H19N5/c1-3-20(4-2)13-6-8-14(9-7-13)21-18-15-10-5-12(17)11-16(15)19-21/h5-11H,3-4,17H2,1-2H3
InChIKeyQRSDPZISHKPRNZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.85
Rot. Bonds4

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

2-[4-(diethylamino)phenyl]benzotriazol-5-amine (PubChem CID 14349221) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]benzotriazol-5-amine.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]benzotriazol-5-amine
PubChem CID14349221
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[4-(diethylamino)phenyl]benzotriazol-5-amine
SMILESCCN(CC)c1ccc(-n2nc3ccc(N)cc3n2)cc1
InChIInChI=1S/C16H19N5/c1-3-20(4-2)13-6-8-14(9-7-13)21-18-15-10-5-12(17)11-16(15)19-21/h5-11H,3-4,17H2,1-2H3
InChIKeyQRSDPZISHKPRNZ-UHFFFAOYSA-N
XLogP2.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.85
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]benzotriazol-5-amine?
The IUPAC name of 2-[4-(diethylamino)phenyl]benzotriazol-5-amine (CID 14349221) is 2-[4-(diethylamino)phenyl]benzotriazol-5-amine.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]benzotriazol-5-amine?
The canonical SMILES for 2-[4-(diethylamino)phenyl]benzotriazol-5-amine is CCN(CC)c1ccc(-n2nc3ccc(N)cc3n2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]benzotriazol-5-amine?
The InChIKey is QRSDPZISHKPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-20(4-2)13-6-8-14(9-7-13)21-18-15-10-5-12(17)11-16(15)19-21/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)phenyl]benzotriazol-5-amine?
2-[4-(diethylamino)phenyl]benzotriazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]benzotriazol-5-amine is sourced from PubChem (CID 14349221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).