N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine

C20H16N4 — CID 138621071

IUPACN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine
SMILESCc1nnc2cc(N=C(c3ccccc3)c3ccccc3)ccn12
InChIInChI=1S/C20H16N4/c1-15-22-23-19-14-18(12-13-24(15)19)21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyPDXGGOBLTFTGIY-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.21
Rot. Bonds3

About N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine

N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine (PubChem CID 138621071) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine
PubChem CID138621071
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC NameN-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine
SMILESCc1nnc2cc(N=C(c3ccccc3)c3ccccc3)ccn12
InChIInChI=1S/C20H16N4/c1-15-22-23-19-14-18(12-13-24(15)19)21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3
InChIKeyPDXGGOBLTFTGIY-UHFFFAOYSA-N
XLogP4.21
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine (CID 138621071) is N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine is Cc1nnc2cc(N=C(c3ccccc3)c3ccccc3)ccn12.
What is the InChIKey of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine?
The InChIKey is PDXGGOBLTFTGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-15-22-23-19-14-18(12-13-24(15)19)21-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3.
What are the key properties of N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine?
N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine has a molecular weight of 312.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 138621071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).