4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

C18H17N5O — CID 6412288

IUPAC4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
SMILESCOc1ccc(N/N=C(/C)c2cnnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13(21-22-15-8-10-16(24-2)11-9-15)17-12-19-23-18(20-17)14-6-4-3-5-7-14/h3-12,22H,1-2H3/b21-13-
InChIKeyLZPOUAUGKDNMTR-BKUYFWCQSA-N
MW319.37 g/mol
LogP3.38
Rot. Bonds5

About 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline (PubChem CID 6412288) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
PubChem CID6412288
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline
SMILESCOc1ccc(N/N=C(/C)c2cnnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-13(21-22-15-8-10-16(24-2)11-9-15)17-12-19-23-18(20-17)14-6-4-3-5-7-14/h3-12,22H,1-2H3/b21-13-
InChIKeyLZPOUAUGKDNMTR-BKUYFWCQSA-N
XLogP3.38
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The IUPAC name of 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline (CID 6412288) is 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline is COc1ccc(N/N=C(/C)c2cnnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
The InChIKey is LZPOUAUGKDNMTR-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13(21-22-15-8-10-16(24-2)11-9-15)17-12-19-23-18(20-17)14-6-4-3-5-7-14/h3-12,22H,1-2H3/b21-13-.
What are the key properties of 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline?
4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline has a molecular weight of 319.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline is sourced from PubChem (CID 6412288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).