(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine

C19H19N5 — CID 5347569

IUPAC(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/n3c(C)nnc3C)ccc21
InChIInChI=1S/C19H19N5/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-20-24-13(2)21-22-14(24)3/h5-12H,4H2,1-3H3/b20-12+
InChIKeyPCHDAEOWFCRXJW-UDWIEESQSA-N
MW317.40 g/mol
LogP3.90
Rot. Bonds3

About (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine (PubChem CID 5347569) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine
PubChem CID5347569
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/n3c(C)nnc3C)ccc21
InChIInChI=1S/C19H19N5/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-20-24-13(2)21-22-14(24)3/h5-12H,4H2,1-3H3/b20-12+
InChIKeyPCHDAEOWFCRXJW-UDWIEESQSA-N
XLogP3.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.90
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)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The IUPAC name of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine (CID 5347569) is (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine.
What is the SMILES notation for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The canonical SMILES for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine is CCn1c2ccccc2c2cc(/C=N/n3c(C)nnc3C)ccc21.
What is the InChIKey of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The InChIKey is PCHDAEOWFCRXJW-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N5/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-20-24-13(2)21-22-14(24)3/h5-12H,4H2,1-3H3/b20-12+.
What are the key properties of (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine has a molecular weight of 317.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine is sourced from PubChem (CID 5347569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).