(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine

C13H10N4 — CID 142938521

IUPAC(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine
SMILES[H]/N=C/c1n[nH]nc1-c1cccc2ccccc12
InChIInChI=1S/C13H10N4/c14-8-12-13(16-17-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16,17)/b14-8+
InChIKeyMDLICDFEYKZROZ-RIYZIHGNSA-N
MW222.25 g/mol
LogP2.62
Rot. Bonds2

About (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine

(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine (PubChem CID 142938521) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine
PubChem CID142938521
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine
SMILES[H]/N=C/c1n[nH]nc1-c1cccc2ccccc12
InChIInChI=1S/C13H10N4/c14-8-12-13(16-17-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16,17)/b14-8+
InChIKeyMDLICDFEYKZROZ-RIYZIHGNSA-N
XLogP2.62
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine?
The IUPAC name of (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine (CID 142938521) is (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine.
What is the SMILES notation for (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine?
The canonical SMILES for (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine is [H]/N=C/c1n[nH]nc1-c1cccc2ccccc12.
What is the InChIKey of (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine?
The InChIKey is MDLICDFEYKZROZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4/c14-8-12-13(16-17-15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H,(H,15,16,17)/b14-8+.
What are the key properties of (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine?
(5-naphthalen-1-yl-2H-triazol-4-yl)methanimine has a molecular weight of 222.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-1-yl-2H-triazol-4-yl)methanimine is sourced from PubChem (CID 142938521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).