N,3-dibenzyltriazol-4-amine

C16H16N4 — CID 13377283

IUPACN,3-dibenzyltriazol-4-amine
SMILESc1ccc(CNc2cnnn2Cc2ccccc2)cc1
InChIInChI=1S/C16H16N4/c1-3-7-14(8-4-1)11-17-16-12-18-19-20(16)13-15-9-5-2-6-10-15/h1-10,12,17H,11,13H2
InChIKeyZJPVQUAHLBCEJW-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds5

About N,3-dibenzyltriazol-4-amine

N,3-dibenzyltriazol-4-amine (PubChem CID 13377283) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,3-dibenzyltriazol-4-amine.

Molecular Properties

Compound NameN,3-dibenzyltriazol-4-amine
PubChem CID13377283
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN,3-dibenzyltriazol-4-amine
SMILESc1ccc(CNc2cnnn2Cc2ccccc2)cc1
InChIInChI=1S/C16H16N4/c1-3-7-14(8-4-1)11-17-16-12-18-19-20(16)13-15-9-5-2-6-10-15/h1-10,12,17H,11,13H2
InChIKeyZJPVQUAHLBCEJW-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dibenzyltriazol-4-amine?
The IUPAC name of N,3-dibenzyltriazol-4-amine (CID 13377283) is N,3-dibenzyltriazol-4-amine.
What is the SMILES notation for N,3-dibenzyltriazol-4-amine?
The canonical SMILES for N,3-dibenzyltriazol-4-amine is c1ccc(CNc2cnnn2Cc2ccccc2)cc1.
What is the InChIKey of N,3-dibenzyltriazol-4-amine?
The InChIKey is ZJPVQUAHLBCEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-7-14(8-4-1)11-17-16-12-18-19-20(16)13-15-9-5-2-6-10-15/h1-10,12,17H,11,13H2.
What are the key properties of N,3-dibenzyltriazol-4-amine?
N,3-dibenzyltriazol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dibenzyltriazol-4-amine is sourced from PubChem (CID 13377283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).