6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine

C7H4BrN7 — CID 131071116

IUPAC6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine
SMILESBrc1ccn(-c2ccc3nnnn3n2)n1
InChIInChI=1S/C7H4BrN7/c8-5-3-4-14(10-5)7-2-1-6-9-12-13-15(6)11-7/h1-4H
InChIKeyMPYRWBVXPFKWAU-UHFFFAOYSA-N
MW266.06 g/mol
LogP0.47
Rot. Bonds1

About 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine

6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine (PubChem CID 131071116) has the molecular formula C7H4BrN7 and a molecular weight of 266.06 g/mol. Its IUPAC name is 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine
PubChem CID131071116
Molecular FormulaC7H4BrN7
Molecular Weight266.06 g/mol
Exact Mass264.97
IUPAC Name6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine
SMILESBrc1ccn(-c2ccc3nnnn3n2)n1
InChIInChI=1S/C7H4BrN7/c8-5-3-4-14(10-5)7-2-1-6-9-12-13-15(6)11-7/h1-4H
InChIKeyMPYRWBVXPFKWAU-UHFFFAOYSA-N
XLogP0.47
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-(4-bromophenyl)tetrazol-2-yl]tetrazolo[1,5-b]pyridazine
CID 25489356
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-methyltetrazolo[1,5-b]pyridazine
CID 20742984
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
CID 114042524
6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 80675891
tetrazolo[1,5-b]pyridazine
CID 548600
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine
CID 102683928
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine (CID 131071116) is 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine is Brc1ccn(-c2ccc3nnnn3n2)n1.
What is the InChIKey of 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine?
The InChIKey is MPYRWBVXPFKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN7/c8-5-3-4-14(10-5)7-2-1-6-9-12-13-15(6)11-7/h1-4H.
What are the key properties of 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine?
6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine has a molecular weight of 266.06 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopyrazol-1-yl)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 131071116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).