ethane;3-ethyl-1,2,3-benzotriazin-4-one

C11H15N3O — CID 145233159

IUPACethane;3-ethyl-1,2,3-benzotriazin-4-one
SMILESCC.CCn1nnc2ccccc2c1=O
InChIInChI=1S/C9H9N3O.C2H6/c1-2-12-9(13)7-5-3-4-6-8(7)10-11-12;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyJTEGKXSXJMPVSA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds1

About ethane;3-ethyl-1,2,3-benzotriazin-4-one

ethane;3-ethyl-1,2,3-benzotriazin-4-one (PubChem CID 145233159) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;3-ethyl-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Nameethane;3-ethyl-1,2,3-benzotriazin-4-one
PubChem CID145233159
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Nameethane;3-ethyl-1,2,3-benzotriazin-4-one
SMILESCC.CCn1nnc2ccccc2c1=O
InChIInChI=1S/C9H9N3O.C2H6/c1-2-12-9(13)7-5-3-4-6-8(7)10-11-12;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyJTEGKXSXJMPVSA-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255
3-(3-bromo-2,2-dimethylpropyl)-1,2,3-benzotriazin-4-one
CID 64995063
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
3-[[2-hydroxyethyl(propyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 62013863
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
3-[[bis(2-hydroxyethyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 62020938
3-(phenoxymethyl)-1,2,3-benzotriazin-4-one
CID 5300896
2-[carboxymethyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetic acid
CID 63645780
3-(2-amino-3,3-dimethylbutyl)-1,2,3-benzotriazin-4-one
CID 43589290
methyl 2-[ethyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetate
CID 62012357
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide
CID 92587836

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1,2,3-benzotriazin-4-one?
The IUPAC name of ethane;3-ethyl-1,2,3-benzotriazin-4-one (CID 145233159) is ethane;3-ethyl-1,2,3-benzotriazin-4-one.
What is the SMILES notation for ethane;3-ethyl-1,2,3-benzotriazin-4-one?
The canonical SMILES for ethane;3-ethyl-1,2,3-benzotriazin-4-one is CC.CCn1nnc2ccccc2c1=O.
What is the InChIKey of ethane;3-ethyl-1,2,3-benzotriazin-4-one?
The InChIKey is JTEGKXSXJMPVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C2H6/c1-2-12-9(13)7-5-3-4-6-8(7)10-11-12;1-2/h3-6H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-1,2,3-benzotriazin-4-one?
ethane;3-ethyl-1,2,3-benzotriazin-4-one has a molecular weight of 205.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 145233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).