4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile

C14H16BN3S — CID 170581885

IUPAC4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
SMILESCc1cc2c(C)c(C3CCB(C#N)CC3)sc2nn1
InChIInChI=1S/C14H16BN3S/c1-9-7-12-10(2)13(19-14(12)18-17-9)11-3-5-15(8-16)6-4-11/h7,11H,3-6H2,1-2H3
InChIKeyLFUDMNQFZMRBBT-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.74
Rot. Bonds1

About 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile

4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile (PubChem CID 170581885) has the molecular formula C14H16BN3S and a molecular weight of 269.18 g/mol. Its IUPAC name is 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
PubChem CID170581885
Molecular FormulaC14H16BN3S
Molecular Weight269.18 g/mol
Exact Mass269.12
IUPAC Name4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
SMILESCc1cc2c(C)c(C3CCB(C#N)CC3)sc2nn1
InChIInChI=1S/C14H16BN3S/c1-9-7-12-10(2)13(19-14(12)18-17-9)11-3-5-15(8-16)6-4-11/h7,11H,3-6H2,1-2H3
InChIKeyLFUDMNQFZMRBBT-UHFFFAOYSA-N
XLogP3.74
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluoro-1-benzothiophen-2-yl)-6-methylpyridazine
CID 155962582
3-Methylthieno[2,3-c]pyridazine
CID 58957247
3,4-Diethylthieno[2,3-c]pyridazine
CID 123135756
3,4-Dimethylthieno[2,3-c]pyridazine
CID 123214955
3-Propan-2-ylthieno[2,3-c]pyridazine
CID 130232071
3-(4,4,5,5-Tetramethylthieno[2,3-c]pyridin-7-yl)thieno[2,3-c]pyridazine
CID 142383410
4-Methyl-7-propan-2-ylthieno[2,3-d]pyridazine
CID 148200162
3,5-Dimethylthieno[2,3-c]pyridazine
CID 154645906
3-Methyl-6-[2-(5-propan-2-ylthiophen-3-yl)ethyl]pyridazine
CID 158334496
4-(3-Chloro-5-methylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile
CID 166128175
7-Methyl-3,4-di(propan-2-yl)thieno[2,3-d]pyridazine
CID 170522643
4-[3-[(3Z,5E)-5-hydroxyhepta-1,3,5-trien-4-yl]-5-methylthieno[2,3-c]pyridazin-6-yl]borinane-1-carbonitrile
CID 170581697

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile?
The IUPAC name of 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile (CID 170581885) is 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile?
The canonical SMILES for 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile is Cc1cc2c(C)c(C3CCB(C#N)CC3)sc2nn1.
What is the InChIKey of 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile?
The InChIKey is LFUDMNQFZMRBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BN3S/c1-9-7-12-10(2)13(19-14(12)18-17-9)11-3-5-15(8-16)6-4-11/h7,11H,3-6H2,1-2H3.
What are the key properties of 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile?
4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile has a molecular weight of 269.18 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylthieno[2,3-c]pyridazin-6-yl)borinane-1-carbonitrile is sourced from PubChem (CID 170581885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).