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

C18H17N5 — CID 56642870

IUPACN-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
SMILESCC/C(=N/Nc1ccccc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C18H17N5/c1-2-16(22-21-15-11-7-4-8-12-15)17-13-19-23-18(20-17)14-9-5-3-6-10-14/h3-13,21H,2H2,1H3/b22-16-
InChIKeyHAFRYEPETBIRAO-JWGURIENSA-N
MW303.37 g/mol
LogP3.76
Rot. Bonds5

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

N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline (PubChem CID 56642870) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
PubChem CID56642870
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC NameN-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
SMILESCC/C(=N/Nc1ccccc1)c1cnnc(-c2ccccc2)n1
InChIInChI=1S/C18H17N5/c1-2-16(22-21-15-11-7-4-8-12-15)17-13-19-23-18(20-17)14-9-5-3-6-10-14/h3-13,21H,2H2,1H3/b22-16-
InChIKeyHAFRYEPETBIRAO-JWGURIENSA-N
XLogP3.76
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-chloro-N-[1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
CID 6819890
4-chloro-N-[1-(3-methylsulfanyl-1,2,4-triazin-5-yl)propylideneamino]aniline
CID 15945545
5-methyl-3-phenyl-1,2,4-triazine
CID 59956311
N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline
CID 6369710
N-[(2-amino-1-phenylethylidene)amino]aniline
CID 88823119
N-[(Z)-(3-methyl-1-pyridin-2-ylbutylidene)amino]aniline
CID 5381298
3-phenyl-1,2,4-triazin-5-amine
CID 15272334
5-chloro-3-phenyl-1,2,4-triazine
CID 116823690
3-(phenylhydrazinylidene)pentan-2-one
CID 23263615
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
CID 134109584
N-ethyl-3-phenyl-1,2,4-triazin-5-amine;piperidine
CID 19787769

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline?
The IUPAC name of N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline (CID 56642870) is N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline.
What is the SMILES notation for N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline?
The canonical SMILES for N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline is CC/C(=N/Nc1ccccc1)c1cnnc(-c2ccccc2)n1.
What is the InChIKey of N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline?
The InChIKey is HAFRYEPETBIRAO-JWGURIENSA-N. The full InChI is InChI=1S/C18H17N5/c1-2-16(22-21-15-11-7-4-8-12-15)17-13-19-23-18(20-17)14-9-5-3-6-10-14/h3-13,21H,2H2,1H3/b22-16-.
What are the key properties of N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline?
N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline has a molecular weight of 303.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline is sourced from PubChem (CID 56642870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).