2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol

C16H15N3OS — CID 170581767

IUPAC2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc([C@@H]3CCNC3)sc2nn1
InChIInChI=1S/C16H15N3OS/c20-14-4-2-1-3-12(14)13-7-11-8-15(10-5-6-17-9-10)21-16(11)19-18-13/h1-4,7-8,10,17,20H,5-6,9H2/t10-/m1/s1
InChIKeySXKSVLBZOAZADZ-SNVBAGLBSA-N
MW297.38 g/mol
LogP3.14
Rot. Bonds2

About 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol

2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol (PubChem CID 170581767) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol
PubChem CID170581767
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc([C@@H]3CCNC3)sc2nn1
InChIInChI=1S/C16H15N3OS/c20-14-4-2-1-3-12(14)13-7-11-8-15(10-5-6-17-9-10)21-16(11)19-18-13/h1-4,7-8,10,17,20H,5-6,9H2/t10-/m1/s1
InChIKeySXKSVLBZOAZADZ-SNVBAGLBSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-benzothiophen-2-yl)-1H-pyrazol-3-yl]phenol
CID 155522013
CID 166127899
CID 166127899
2-[(6R)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166127910
Tert-butyl 2-[3-[3-(2-hydroxyphenyl)thieno[2,3-c]pyridazin-6-yl]azetidin-1-yl]acetate
CID 166127913
CID 166127930
CID 166127930
Tert-butyl 3-[3-(2-hydroxyphenyl)thieno[2,3-c]pyridazin-6-yl]azetidine-1-carboxylate
CID 166127940
2-(8-Thia-4,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl)phenol
CID 166127952
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
CID 166128034
CID 166128034
2-[(6S)-6-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-c]pyridazin-3-yl]phenol
CID 166128059

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol (CID 170581767) is 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2cc([C@@H]3CCNC3)sc2nn1.
What is the InChIKey of 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is SXKSVLBZOAZADZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-14-4-2-1-3-12(14)13-7-11-8-15(10-5-6-17-9-10)21-16(11)19-18-13/h1-4,7-8,10,17,20H,5-6,9H2/t10-/m1/s1.
What are the key properties of 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol?
2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 297.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R)-pyrrolidin-3-yl]thieno[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 170581767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).