3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine

C11H12BrN5 — CID 126901305

IUPAC3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC(n3cc(Br)cn3)C2)nn1
InChIInChI=1S/C11H12BrN5/c1-8-2-3-11(15-14-8)16-6-10(7-16)17-5-9(12)4-13-17/h2-5,10H,6-7H2,1H3
InChIKeyVQDIBFZCSOVSQQ-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.81
Rot. Bonds2

About 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine

3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine (PubChem CID 126901305) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
PubChem CID126901305
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC Name3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
SMILESCc1ccc(N2CC(n3cc(Br)cn3)C2)nn1
InChIInChI=1S/C11H12BrN5/c1-8-2-3-11(15-14-8)16-6-10(7-16)17-5-9(12)4-13-17/h2-5,10H,6-7H2,1H3
InChIKeyVQDIBFZCSOVSQQ-UHFFFAOYSA-N
XLogP1.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-2-cyclopropyl-6-methylpyrimidine
CID 126901358
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
CID 126901546
2-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 126947069
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
CID 126891751
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
7-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]furo[2,3-d]pyridazine
CID 126901539
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 133116030
5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
4-(4-bromopyrazol-1-yl)-1-methylpiperidine
CID 59599418
4-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 126947072

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine?
The IUPAC name of 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine (CID 126901305) is 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine?
The canonical SMILES for 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine is Cc1ccc(N2CC(n3cc(Br)cn3)C2)nn1.
What is the InChIKey of 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine?
The InChIKey is VQDIBFZCSOVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-8-2-3-11(15-14-8)16-6-10(7-16)17-5-9(12)4-13-17/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine?
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine has a molecular weight of 294.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine is sourced from PubChem (CID 126901305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).