2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline

C15H14N4O — CID 103204598

IUPAC2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
SMILESNc1ccccc1CCOc1nnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c16-12-6-2-1-5-11(12)9-10-20-15-17-13-7-3-4-8-14(13)18-19-15/h1-8H,9-10,16H2
InChIKeyNRJAZWTXLNGUFT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds4

About 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline

2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline (PubChem CID 103204598) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
PubChem CID103204598
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline
SMILESNc1ccccc1CCOc1nnc2ccccc2n1
InChIInChI=1S/C15H14N4O/c16-12-6-2-1-5-11(12)9-10-20-15-17-13-7-3-4-8-14(13)18-19-15/h1-8H,9-10,16H2
InChIKeyNRJAZWTXLNGUFT-UHFFFAOYSA-N
XLogP2.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,2,4-benzotriazin-3-yl)ethyl]aniline
CID 82480894
2-(2-pyrido[2,3-b]pyrazin-6-yloxyethyl)aniline
CID 102902912
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
2-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]ethyl]aniline
CID 102902817
2-[2-(4-methylphthalazin-1-yl)oxyethyl]aniline
CID 102902940
2-[2-(5-chloro-2-methoxypyrimidin-4-yl)oxyethyl]aniline
CID 102902759
3-(1,2,4-benzotriazin-3-yloxy)-2-bromoaniline
CID 103204593
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
CID 102902960
2-[2-(2-methylphenyl)ethoxy]quinazoline
CID 23196561
2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247
2-(2-ethoxyethyl)aniline
CID 14619442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline?
The IUPAC name of 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline (CID 103204598) is 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline?
The canonical SMILES for 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline is Nc1ccccc1CCOc1nnc2ccccc2n1.
What is the InChIKey of 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline?
The InChIKey is NRJAZWTXLNGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-12-6-2-1-5-11(12)9-10-20-15-17-13-7-3-4-8-14(13)18-19-15/h1-8H,9-10,16H2.
What are the key properties of 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline?
2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline has a molecular weight of 266.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-benzotriazin-3-yloxy)ethyl]aniline is sourced from PubChem (CID 103204598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).