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

C8H7N5 — CID 6858569

IUPAC(E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccnc1
InChIInChI=1S/C8H7N5/c1-2-8(4-9-3-1)5-12-13-6-10-11-7-13/h1-7H/b12-5+
InChIKeyPVGQEZUQBQXWED-LFYBBSHMSA-N
MW173.18 g/mol
LogP0.56
Rot. Bonds2

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

(E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858569) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858569
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name(E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccnc1
InChIInChI=1S/C8H7N5/c1-2-8(4-9-3-1)5-12-13-6-10-11-7-13/h1-7H/b12-5+
InChIKeyPVGQEZUQBQXWED-LFYBBSHMSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine (CID 6858569) is (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is PVGQEZUQBQXWED-LFYBBSHMSA-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/b12-5+.
What are the key properties of (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine?
(E)-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 (E)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).