3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one

C12H17N5O2 — CID 66790593

IUPAC3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one
SMILESCN(C)C(On1nnc2ccccc2c1=O)N(C)C
InChIInChI=1S/C12H17N5O2/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17/h5-8,12H,1-4H3
InChIKeyXXMDSYHGMJGYAP-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.37
Rot. Bonds4

About 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one

3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one (PubChem CID 66790593) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one
PubChem CID66790593
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one
SMILESCN(C)C(On1nnc2ccccc2c1=O)N(C)C
InChIInChI=1S/C12H17N5O2/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17/h5-8,12H,1-4H3
InChIKeyXXMDSYHGMJGYAP-UHFFFAOYSA-N
XLogP-0.37
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yloxy-1,2,3-benzotriazin-4-one
CID 58235374
(4-oxo-1,2,3-benzotriazin-3-yl) dihydrogen phosphate
CID 118622741
3-bromo-1,2,3-benzotriazin-4-one
CID 141391394
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
3-(2,2-dimethoxyethyl)-1,2,3-benzotriazin-4-one
CID 66223426
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
methyl 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl-propan-2-ylamino]acetate
CID 62026649
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437289
3-(4-propan-2-ylphenyl)-1,2,3-benzotriazin-4-one
CID 2806547
3-(methylsulfinylmethyl)-1,2,3-benzotriazin-4-one
CID 71412255

Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one (CID 66790593) is 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one is CN(C)C(On1nnc2ccccc2c1=O)N(C)C.
What is the InChIKey of 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one?
The InChIKey is XXMDSYHGMJGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17/h5-8,12H,1-4H3.
What are the key properties of 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one?
3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one has a molecular weight of 263.30 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(dimethylamino)methoxy]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 66790593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).