N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine

C20H15N5 — CID 786981

IUPACN-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
SMILESC(=Nn1c(-c2ccccc2)nnc1-c1ccccc1)c1cccnc1
InChIInChI=1S/C20H15N5/c1-3-9-17(10-4-1)19-23-24-20(18-11-5-2-6-12-18)25(19)22-15-16-8-7-13-21-14-16/h1-15H
InChIKeyQQFYMRRCOJIRRF-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.89
Rot. Bonds4

About N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine

N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine (PubChem CID 786981) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
PubChem CID786981
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC NameN-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
SMILESC(=Nn1c(-c2ccccc2)nnc1-c1ccccc1)c1cccnc1
InChIInChI=1S/C20H15N5/c1-3-9-17(10-4-1)19-23-24-20(18-11-5-2-6-12-18)25(19)22-15-16-8-7-13-21-14-16/h1-15H
InChIKeyQQFYMRRCOJIRRF-UHFFFAOYSA-N
XLogP3.89
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine (CID 786981) is N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine is C(=Nn1c(-c2ccccc2)nnc1-c1ccccc1)c1cccnc1.
What is the InChIKey of N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine?
The InChIKey is QQFYMRRCOJIRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-3-9-17(10-4-1)19-23-24-20(18-11-5-2-6-12-18)25(19)22-15-16-8-7-13-21-14-16/h1-15H.
What are the key properties of N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine?
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine has a molecular weight of 325.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 786981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).