2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

C16H16N4O — CID 163374090

IUPAC2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(CC3CNC3)[nH]c2nn1
InChIInChI=1S/C16H16N4O/c21-15-4-2-1-3-13(15)14-7-11-6-12(5-10-8-17-9-10)18-16(11)20-19-14/h1-4,6-7,10,17,21H,5,8-9H2,(H,18,20)
InChIKeyVWRLZKQQNIMBPR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.09
Rot. Bonds3

About 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 163374090) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID163374090
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(CC3CNC3)[nH]c2nn1
InChIInChI=1S/C16H16N4O/c21-15-4-2-1-3-13(15)14-7-11-6-12(5-10-8-17-9-10)18-16(11)20-19-14/h1-4,6-7,10,17,21H,5,8-9H2,(H,18,20)
InChIKeyVWRLZKQQNIMBPR-UHFFFAOYSA-N
XLogP2.09
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 177023015
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
CID 170350851
2-[6-[[4-[5-(2-methylpropyl)-1,2-oxazol-3-yl]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182084
acetonitrile;2-fluoroprop-2-enal;2-[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 177023014
2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 163374057
2-[6-[[4-[3-[[5-[(2R)-3-methylbutan-2-yl]-1,2-oxazol-3-yl]oxy]propyl]piperazin-1-yl]methyl]-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 174182579
1-[3-[[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]sulfonyl]azetidin-1-yl]ethanone
CID 167081119
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023083
1-[5-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2-azaspiro[3.4]octan-2-yl]prop-2-en-1-one
CID 177023941
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-6-azaspiro[3.4]octan-6-yl]prop-2-en-1-one
CID 177024065
1-[4-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]-2-azabicyclo[2.1.1]hexan-2-yl]prop-2-en-1-one
CID 177022774

Frequently Asked Questions

What is the IUPAC name of 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 163374090) is 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2cc(CC3CNC3)[nH]c2nn1.
What is the InChIKey of 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is VWRLZKQQNIMBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-15-4-2-1-3-13(15)14-7-11-6-12(5-10-8-17-9-10)18-16(11)20-19-14/h1-4,6-7,10,17,21H,5,8-9H2,(H,18,20).
What are the key properties of 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-3-ylmethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 163374090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).