(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

C17H15N5 — CID 6858650

IUPAC(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/n3cnnc3)ccc21
InChIInChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3/b20-10+
InChIKeyQARNUFOLNOGNGQ-KEBDBYFISA-N
MW289.34 g/mol
LogP3.29
Rot. Bonds3

About (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 6858650) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID6858650
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/n3cnnc3)ccc21
InChIInChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3/b20-10+
InChIKeyQARNUFOLNOGNGQ-KEBDBYFISA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.29
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-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 6858650) is (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is CCn1c2ccccc2c2cc(/C=N/n3cnnc3)ccc21.
What is the InChIKey of (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is QARNUFOLNOGNGQ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15N5/c1-2-22-16-6-4-3-5-14(16)15-9-13(7-8-17(15)22)10-20-21-11-18-19-12-21/h3-12H,2H2,1H3/b20-10+.
What are the key properties of (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 289.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6858650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).