1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol

C8H10N6O2 — CID 106673388

IUPAC1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccc3nnnn3n2)CC1O
InChIInChI=1S/C8H10N6O2/c15-5-3-13(4-6(5)16)8-2-1-7-9-11-12-14(7)10-8/h1-2,5-6,15-16H,3-4H2
InChIKeyJWZLCMMXAYEMHP-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.94
Rot. Bonds1

About 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol

1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol (PubChem CID 106673388) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
PubChem CID106673388
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccc3nnnn3n2)CC1O
InChIInChI=1S/C8H10N6O2/c15-5-3-13(4-6(5)16)8-2-1-7-9-11-12-14(7)10-8/h1-2,5-6,15-16H,3-4H2
InChIKeyJWZLCMMXAYEMHP-UHFFFAOYSA-N
XLogP-1.94
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanol
CID 102935234
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-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555
2-methyl-6-phenyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 47983394
(3aS,9aS,9bR)-2-(tetrazolo[1,5-b]pyridazin-6-yl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 98847689
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine-2-carboxamide
CID 177329084
6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519
(2S)-1-[(2S)-2-ethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 98767156

Frequently Asked Questions

What is the IUPAC name of 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol (CID 106673388) is 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol is OC1CN(c2ccc3nnnn3n2)CC1O.
What is the InChIKey of 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol?
The InChIKey is JWZLCMMXAYEMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c15-5-3-13(4-6(5)16)8-2-1-7-9-11-12-14(7)10-8/h1-2,5-6,15-16H,3-4H2.
What are the key properties of 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol?
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol has a molecular weight of 222.21 g/mol, XLogP of -1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).