(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium

C17H19N4O2+ — CID 7911386

IUPAC(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
SMILESCOc1ccc(C[NH+](C)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-20(11-13-7-9-14(23-2)10-8-13)12-21-17(22)15-5-3-4-6-16(15)18-19-21/h3-10H,11-12H2,1-2H3/p+1
InChIKeyGZBVJCYLEQFGKL-UHFFFAOYSA-O
MW311.37 g/mol
LogP0.47
Rot. Bonds5

About (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium

(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium (PubChem CID 7911386) has the molecular formula C17H19N4O2+ and a molecular weight of 311.37 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
PubChem CID7911386
Molecular FormulaC17H19N4O2+
Molecular Weight311.37 g/mol
Exact Mass311.15
IUPAC Name(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
SMILESCOc1ccc(C[NH+](C)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H18N4O2/c1-20(11-13-7-9-14(23-2)10-8-13)12-21-17(22)15-5-3-4-6-16(15)18-19-21/h3-10H,11-12H2,1-2H3/p+1
InChIKeyGZBVJCYLEQFGKL-UHFFFAOYSA-O
XLogP0.47
TPSA61.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2714405
3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 24562597
N-[1-(4-methoxyphenyl)propan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 121349665
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9317808
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 38860475
(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 7911362
(2S,3S)-3-hydroxy-5-[4-(4-methoxyphenyl)phenyl]-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]pentanoic acid
CID 25009770
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135158
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824778
N-(3,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4905241

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium (CID 7911386) is (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium is COc1ccc(C[NH+](C)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium?
The InChIKey is GZBVJCYLEQFGKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O2/c1-20(11-13-7-9-14(23-2)10-8-13)12-21-17(22)15-5-3-4-6-16(15)18-19-21/h3-10H,11-12H2,1-2H3/p+1.
What are the key properties of (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium?
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium has a molecular weight of 311.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium is sourced from PubChem (CID 7911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).