CID 174168195

C13H12BN4O3 — CID 174168195

IUPAC—
SMILESC[B]c1ccc2c(=O)n(C3CCC(=O)NC3=O)nnc2c1
InChIInChI=1S/C13H12BN4O3/c1-14-7-2-3-8-9(6-7)16-17-18(13(8)21)10-4-5-11(19)15-12(10)20/h2-3,6,10H,4-5H2,1H3,(H,15,19,20)
InChIKeyDVONYIWBXYIANI-UHFFFAOYSA-N
MW283.08 g/mol
LogP-0.85
Rot. Bonds2

About CID 174168195

CID 174168195 (PubChem CID 174168195) has the molecular formula C13H12BN4O3 and a molecular weight of 283.08 g/mol.

Molecular Properties

Compound NameCID 174168195
PubChem CID174168195
Molecular FormulaC13H12BN4O3
Molecular Weight283.08 g/mol
Exact Mass283.10
IUPAC Name—
SMILESC[B]c1ccc2c(=O)n(C3CCC(=O)NC3=O)nnc2c1
InChIInChI=1S/C13H12BN4O3/c1-14-7-2-3-8-9(6-7)16-17-18(13(8)21)10-4-5-11(19)15-12(10)20/h2-3,6,10H,4-5H2,1H3,(H,15,19,20)
InChIKeyDVONYIWBXYIANI-UHFFFAOYSA-N
XLogP-0.85
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504276
3-[6-(tert-butylamino)-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 162504232
1-(3,4-dimethylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]methyl]urea
CID 151327500
3-(5-tert-butyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 162504418
1-methyl-3-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)piperidine-2,6-dione
CID 170361632
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
1-[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-6-yl]ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 151519054
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
4-[4-[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-6-yl]azetidine-3-carbonyl]piperazin-1-yl]benzamide
CID 162767834
6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
CID 162767789
3-[5-[(4-methoxyphenyl)methylamino]-4-oxo-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 142748655
3-[7-(hydroxymethyl)-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 172555183

Frequently Asked Questions

What is the IUPAC name of CID 174168195?
The IUPAC name of CID 174168195 (CID 174168195) is not available.
What is the SMILES notation for CID 174168195?
The canonical SMILES for CID 174168195 is C[B]c1ccc2c(=O)n(C3CCC(=O)NC3=O)nnc2c1.
What is the InChIKey of CID 174168195?
The InChIKey is DVONYIWBXYIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BN4O3/c1-14-7-2-3-8-9(6-7)16-17-18(13(8)21)10-4-5-11(19)15-12(10)20/h2-3,6,10H,4-5H2,1H3,(H,15,19,20).
What are the key properties of CID 174168195?
CID 174168195 has a molecular weight of 283.08 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174168195 is sourced from PubChem (CID 174168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).