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

C13H10N4 — CID 6858570

IUPAC(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccc2ccccc12
InChIInChI=1S/C13H10N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-16-17-9-14-15-10-17/h1-10H/b16-8+
InChIKeyQYIONCSOLVIVGC-LZYBPNLTSA-N
MW222.25 g/mol
LogP2.31
Rot. Bonds2

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

(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858570) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858570
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1cccc2ccccc12
InChIInChI=1S/C13H10N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-16-17-9-14-15-10-17/h1-10H/b16-8+
InChIKeyQYIONCSOLVIVGC-LZYBPNLTSA-N
XLogP2.31
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.31
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 (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine (CID 6858570) is (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is QYIONCSOLVIVGC-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-16-17-9-14-15-10-17/h1-10H/b16-8+.
What are the key properties of (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 222.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).