(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C18H15N5 — CID 135771176

IUPAC(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/n1cnnc1-c1ccccc1
InChIInChI=1S/C18H15N5/c1-13-16(15-9-5-6-10-17(15)21-13)11-20-23-12-19-22-18(23)14-7-3-2-4-8-14/h2-12,21H,1H3/b20-11+
InChIKeyXWQUJALLYPGEQR-RGVLZGJSSA-N
MW301.35 g/mol
LogP3.62
Rot. Bonds3

About (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 135771176) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID135771176
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/n1cnnc1-c1ccccc1
InChIInChI=1S/C18H15N5/c1-13-16(15-9-5-6-10-17(15)21-13)11-20-23-12-19-22-18(23)14-7-3-2-4-8-14/h2-12,21H,1H3/b20-11+
InChIKeyXWQUJALLYPGEQR-RGVLZGJSSA-N
XLogP3.62
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
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-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 135771176) is (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is Cc1[nH]c2ccccc2c1/C=N/n1cnnc1-c1ccccc1.
What is the InChIKey of (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is XWQUJALLYPGEQR-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N5/c1-13-16(15-9-5-6-10-17(15)21-13)11-20-23-12-19-22-18(23)14-7-3-2-4-8-14/h2-12,21H,1H3/b20-11+.
What are the key properties of (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 301.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methyl-1H-indol-3-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 135771176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).