CID 157032361

C10H6BN5O2 — CID 157032361

IUPAC—
SMILES[B]c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12
InChIInChI=1S/C10H6BN5O2/c11-6-3-7(15-16-2-1-12-8(6)16)5-4-13-10(18)14-9(5)17/h1-4H,(H2,13,14,17,18)
InChIKeyWIXMPEDVEBYZSU-UHFFFAOYSA-N
MW239.00 g/mol
LogP-1.43
Rot. Bonds1

About CID 157032361

CID 157032361 (PubChem CID 157032361) has the molecular formula C10H6BN5O2 and a molecular weight of 239.00 g/mol.

Molecular Properties

Compound NameCID 157032361
PubChem CID157032361
Molecular FormulaC10H6BN5O2
Molecular Weight239.00 g/mol
Exact Mass239.06
IUPAC Name—
SMILES[B]c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12
InChIInChI=1S/C10H6BN5O2/c11-6-3-7(15-16-2-1-12-8(6)16)5-4-13-10(18)14-9(5)17/h1-4H,(H2,13,14,17,18)
InChIKeyWIXMPEDVEBYZSU-UHFFFAOYSA-N
XLogP-1.43
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.00
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[8-(1-methylpyrazol-3-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035026
5-[8-(2,2-difluorocyclopropyl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163394455
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032884
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034809
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033518
5-[8-[3-(difluoromethyl)-3-methylazetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035179
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032251
5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033011
5-[8-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034228
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
CID 157034335

Frequently Asked Questions

What is the IUPAC name of CID 157032361?
The IUPAC name of CID 157032361 (CID 157032361) is not available.
What is the SMILES notation for CID 157032361?
The canonical SMILES for CID 157032361 is [B]c1cc(-c2c[nH]c(=O)[nH]c2=O)nn2ccnc12.
What is the InChIKey of CID 157032361?
The InChIKey is WIXMPEDVEBYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BN5O2/c11-6-3-7(15-16-2-1-12-8(6)16)5-4-13-10(18)14-9(5)17/h1-4H,(H2,13,14,17,18).
What are the key properties of CID 157032361?
CID 157032361 has a molecular weight of 239.00 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157032361 is sourced from PubChem (CID 157032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).