CID 145093146

C19H12BF2N7 — CID 145093146

IUPAC—
SMILES[B]c1ccc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C)c5)nn34)ccc2n1
InChIInChI=1S/C19H12BF2N7/c1-28-10-12(9-23-28)15-5-7-17-25-26-18(29(17)27-15)19(21,22)13-3-4-14-11(8-13)2-6-16(20)24-14/h2-10H,1H3
InChIKeyLZDIHECEUIXJBX-UHFFFAOYSA-N
MW387.16 g/mol
LogP2.01
Rot. Bonds3

About CID 145093146

CID 145093146 (PubChem CID 145093146) has the molecular formula C19H12BF2N7 and a molecular weight of 387.16 g/mol.

Molecular Properties

Compound NameCID 145093146
PubChem CID145093146
Molecular FormulaC19H12BF2N7
Molecular Weight387.16 g/mol
Exact Mass387.12
IUPAC Name—
SMILES[B]c1ccc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C)c5)nn34)ccc2n1
InChIInChI=1S/C19H12BF2N7/c1-28-10-12(9-23-28)15-5-7-17-25-26-18(29(17)27-15)19(21,22)13-3-4-14-11(8-13)2-6-16(20)24-14/h2-10H,1H3
InChIKeyLZDIHECEUIXJBX-UHFFFAOYSA-N
XLogP2.01
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenyl]pyrimidin-5-ol
CID 44553017
3-[[3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)phenyl]-difluoromethyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 89121747
6-[difluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320421
3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 118282482
6-[difluoro-[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 59320399
4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 59320375
6-[difluoro-[6-(1-propan-2-ylindol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 177380762
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
3-[[3-(5-butoxypyrimidin-2-yl)phenyl]-difluoromethyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;6-(1-methylpyrazol-4-yl)-3-[1-[3-[5-(2-piperidin-1-ylethoxy)pyrimidin-2-yl]phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 160756888
6-[[6-(1-benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;(4-propan-2-ylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158591390
methanesulfonic acid;3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 56650917
6-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-2-yl]quinoline
CID 163519216

Frequently Asked Questions

What is the IUPAC name of CID 145093146?
The IUPAC name of CID 145093146 (CID 145093146) is not available.
What is the SMILES notation for CID 145093146?
The canonical SMILES for CID 145093146 is [B]c1ccc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C)c5)nn34)ccc2n1.
What is the InChIKey of CID 145093146?
The InChIKey is LZDIHECEUIXJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BF2N7/c1-28-10-12(9-23-28)15-5-7-17-25-26-18(29(17)27-15)19(21,22)13-3-4-14-11(8-13)2-6-16(20)24-14/h2-10H,1H3.
What are the key properties of CID 145093146?
CID 145093146 has a molecular weight of 387.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145093146 is sourced from PubChem (CID 145093146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).