7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine

C12H10BrN5O — CID 126901539

IUPAC7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine
SMILESBrc1cnn(C2CN(c3nncc4ccoc34)C2)c1
InChIInChI=1S/C12H10BrN5O/c13-9-4-15-18(5-9)10-6-17(7-10)12-11-8(1-2-19-11)3-14-16-12/h1-5,10H,6-7H2
InChIKeyINOYWLDLZYWLIF-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.24
Rot. Bonds2

About 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine

7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine (PubChem CID 126901539) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine.

Molecular Properties

Compound Name7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine
PubChem CID126901539
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine
SMILESBrc1cnn(C2CN(c3nncc4ccoc34)C2)c1
InChIInChI=1S/C12H10BrN5O/c13-9-4-15-18(5-9)10-6-17(7-10)12-11-8(1-2-19-11)3-14-16-12/h1-5,10H,6-7H2
InChIKeyINOYWLDLZYWLIF-UHFFFAOYSA-N
XLogP2.24
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-pyrazol-1-ylazetidin-1-yl)furo[2,3-d]pyridazine
CID 126900378
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899883
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126945134
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
CID 126901546
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
CID 126901358
6-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137205782
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine?
The IUPAC name of 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine (CID 126901539) is 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine.
What is the SMILES notation for 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine?
The canonical SMILES for 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine is Brc1cnn(C2CN(c3nncc4ccoc34)C2)c1.
What is the InChIKey of 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine?
The InChIKey is INOYWLDLZYWLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c13-9-4-15-18(5-9)10-6-17(7-10)12-11-8(1-2-19-11)3-14-16-12/h1-5,10H,6-7H2.
What are the key properties of 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine?
7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine has a molecular weight of 320.15 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine is sourced from PubChem (CID 126901539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).