1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine

C8H7N5 — CID 660525

IUPAC1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=Nn1cnnc1)c1cccnc1
InChIInChI=1S/C8H7N5/c1-2-8(4-9-3-1)5-12-13-6-10-11-7-13/h1-7H
InChIKeyPVGQEZUQBQXWED-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.56
Rot. Bonds2

About 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine

1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 660525) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID660525
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=Nn1cnnc1)c1cccnc1
InChIInChI=1S/C8H7N5/c1-2-8(4-9-3-1)5-12-13-6-10-11-7-13/h1-7H
InChIKeyPVGQEZUQBQXWED-UHFFFAOYSA-N
XLogP0.56
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.56
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

(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(Z)-N-(benzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 5422737
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 690735
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
5-(pyridin-3-ylmethylidene)-3-(pyridin-3-ylmethylideneamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3394031
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
N-(2-methylbenzimidazol-1-yl)-1-pyridin-3-ylmethanimine
CID 749135
N-(6-methyl-5H-1,2,4-triazin-4-yl)-1-pyridin-3-ylmethanimine
CID 91129434
5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
CID 19350745
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine (CID 660525) is 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine is C(=Nn1cnnc1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is PVGQEZUQBQXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-2-8(4-9-3-1)5-12-13-6-10-11-7-13/h1-7H.
What are the key properties of 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 173.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 660525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).