N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine

C15H18N4O2 — CID 139593000

IUPACN-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine
SMILESCCCC(=NO)c1cnnc(-c2ccccc2OCC)n1
InChIInChI=1S/C15H18N4O2/c1-3-7-12(19-20)13-10-16-18-15(17-13)11-8-5-6-9-14(11)21-4-2/h5-6,8-10,20H,3-4,7H2,1-2H3
InChIKeyQLCGZDTUQNUAQL-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.92
Rot. Bonds6

About N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine

N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine (PubChem CID 139593000) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine
PubChem CID139593000
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine
SMILESCCCC(=NO)c1cnnc(-c2ccccc2OCC)n1
InChIInChI=1S/C15H18N4O2/c1-3-7-12(19-20)13-10-16-18-15(17-13)11-8-5-6-9-14(11)21-4-2/h5-6,8-10,20H,3-4,7H2,1-2H3
InChIKeyQLCGZDTUQNUAQL-UHFFFAOYSA-N
XLogP2.92
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-1,2,4-triazine
CID 139592958
4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
CID 115534586
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 115534463
1-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 115534402
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
5-chloro-3-(2-methoxyphenyl)-1,2,4-triazine
CID 116823799
3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3950226
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)propylideneamino]aniline
CID 56642870

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine?
The IUPAC name of N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine (CID 139593000) is N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine.
What is the SMILES notation for N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine?
The canonical SMILES for N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine is CCCC(=NO)c1cnnc(-c2ccccc2OCC)n1.
What is the InChIKey of N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine?
The InChIKey is QLCGZDTUQNUAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-7-12(19-20)13-10-16-18-15(17-13)11-8-5-6-9-14(11)21-4-2/h5-6,8-10,20H,3-4,7H2,1-2H3.
What are the key properties of N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine?
N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine has a molecular weight of 286.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethoxyphenyl)-1,2,4-triazin-5-yl]butylidene]hydroxylamine is sourced from PubChem (CID 139593000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).