N-[(1-benzyltriazol-4-yl)methyl]aniline

C16H16N4 — CID 16745947

IUPACN-[(1-benzyltriazol-4-yl)methyl]aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3)nn2)cc1
InChIInChI=1S/C16H16N4/c1-3-7-14(8-4-1)12-20-13-16(18-19-20)11-17-15-9-5-2-6-10-15/h1-10,13,17H,11-12H2
InChIKeySNHAISUBAUGGJG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds5

About N-[(1-benzyltriazol-4-yl)methyl]aniline

N-[(1-benzyltriazol-4-yl)methyl]aniline (PubChem CID 16745947) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]aniline
PubChem CID16745947
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]aniline
SMILESc1ccc(Cn2cc(CNc3ccccc3)nn2)cc1
InChIInChI=1S/C16H16N4/c1-3-7-14(8-4-1)12-20-13-16(18-19-20)11-17-15-9-5-2-6-10-15/h1-10,13,17H,11-12H2
InChIKeySNHAISUBAUGGJG-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-[(1-benzyltriazol-4-yl)methyl]aniline?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]aniline (CID 16745947) is N-[(1-benzyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]aniline?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]aniline is c1ccc(Cn2cc(CNc3ccccc3)nn2)cc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]aniline?
The InChIKey is SNHAISUBAUGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-3-7-14(8-4-1)12-20-13-16(18-19-20)11-17-15-9-5-2-6-10-15/h1-10,13,17H,11-12H2.
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]aniline?
N-[(1-benzyltriazol-4-yl)methyl]aniline 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-[(1-benzyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 16745947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).