5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile

C19H11N3OS — CID 100945026

IUPAC5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile
SMILESN#Cc1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1O
InChIInChI=1S/C19H11N3OS/c20-11-14-18(23)16-15(12-7-3-1-4-8-12)17(21-22-19(16)24-14)13-9-5-2-6-10-13/h1-10,23H
InChIKeyVCFFBSMNRCPJTN-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.60
Rot. Bonds2

About 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile

5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile (PubChem CID 100945026) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile
PubChem CID100945026
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC Name5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile
SMILESN#Cc1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1O
InChIInChI=1S/C19H11N3OS/c20-11-14-18(23)16-15(12-7-3-1-4-8-12)17(21-22-19(16)24-14)13-9-5-2-6-10-13/h1-10,23H
InChIKeyVCFFBSMNRCPJTN-UHFFFAOYSA-N
XLogP4.60
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

5-(5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-3H-1,3,4-oxadiazole-2-thione
CID 136040174
5-(5-Hydroxy-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 137317303
3,4-Diphenylthieno[2,3-c]pyridazin-5-ol
CID 6401461
6-amino-3,4,8-triphenyl-8H-pyrano[2',3':4,5]thieno[2,3-c]pyridazine-7-carbonitrile
CID 10718703
CID 166127899
CID 166127899
2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166127910
CID 166127930
CID 166127930
CID 166127969
CID 166127969
2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl)phenol
CID 166127984
2-[5-ethenyl-6-[(Z)-prop-1-enyl]thieno[2,3-c]pyridazin-3-yl]phenol
CID 166128032
2-[(6S)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166128059
3-[3-(2-Hydroxyphenyl)thieno[2,3-c]pyridazin-6-yl]boretane-1-carbonitrile
CID 166128111

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile?
The IUPAC name of 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile (CID 100945026) is 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile.
What is the SMILES notation for 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile?
The canonical SMILES for 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile is N#Cc1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1O.
What is the InChIKey of 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile?
The InChIKey is VCFFBSMNRCPJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3OS/c20-11-14-18(23)16-15(12-7-3-1-4-8-12)17(21-22-19(16)24-14)13-9-5-2-6-10-13/h1-10,23H.
What are the key properties of 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile?
5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile has a molecular weight of 329.38 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonitrile is sourced from PubChem (CID 100945026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).