CID 142467786

C10H8BN4O — CID 142467786

IUPAC—
SMILESN[B]c1ccc2ncc3[nH]c(=O)[nH]c3c2c1
InChIInChI=1S/C10H8BN4O/c12-11-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)15-9/h1-4H,12H2,(H2,14,15,16)
InChIKeyRJNFYZTUNUDRCT-UHFFFAOYSA-N
MW211.01 g/mol
LogP-0.39
Rot. Bonds1

About CID 142467786

CID 142467786 (PubChem CID 142467786) has the molecular formula C10H8BN4O and a molecular weight of 211.01 g/mol.

Molecular Properties

Compound NameCID 142467786
PubChem CID142467786
Molecular FormulaC10H8BN4O
Molecular Weight211.01 g/mol
Exact Mass211.08
IUPAC Name—
SMILESN[B]c1ccc2ncc3[nH]c(=O)[nH]c3c2c1
InChIInChI=1S/C10H8BN4O/c12-11-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)15-9/h1-4H,12H2,(H2,14,15,16)
InChIKeyRJNFYZTUNUDRCT-UHFFFAOYSA-N
XLogP-0.39
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 167283835
4-methyl-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8-tetraen-11-one
CID 141208367
4-(2-amino-5-methyl-3-pyridinyl)-1,3-dihydrobenzimidazol-2-one
CID 155494493
6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
CID 45078064
8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine
CID 50877641
1H-pyrido[3,2-g]quinazoline-2,4-dione
CID 142642120
8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
CID 144847132
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
7-methyl-1H-quinoxalin-2-one
CID 583114
2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 167724244
1,3-dihydroimidazo[4,5-c]pyridin-2-one
CID 11686916
2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
CID 171477205

Frequently Asked Questions

What is the IUPAC name of CID 142467786?
The IUPAC name of CID 142467786 (CID 142467786) is not available.
What is the SMILES notation for CID 142467786?
The canonical SMILES for CID 142467786 is N[B]c1ccc2ncc3[nH]c(=O)[nH]c3c2c1.
What is the InChIKey of CID 142467786?
The InChIKey is RJNFYZTUNUDRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BN4O/c12-11-5-1-2-7-6(3-5)9-8(4-13-7)14-10(16)15-9/h1-4H,12H2,(H2,14,15,16).
What are the key properties of CID 142467786?
CID 142467786 has a molecular weight of 211.01 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142467786 is sourced from PubChem (CID 142467786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).