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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Related Compounds

(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
3-pyridin-3-yl-4-[(Z)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 5425032
N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 749135
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
(E)-N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 11647302
3-(3-fluorophenyl)-4-[(Z)-pyridin-3-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 9238505
3-(4-ethoxyphenyl)-4-(pyridin-3-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
CID 950819
6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6902460
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
(Z)-N-(benzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 5422737
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790

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).