6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine

C13H18N6 — CID 133463961

IUPAC6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
SMILESCC1CN(c2ccc3nnnn3n2)C2CCCCC12
InChIInChI=1S/C13H18N6/c1-9-8-18(11-5-3-2-4-10(9)11)13-7-6-12-14-16-17-19(12)15-13/h6-7,9-11H,2-5,8H2,1H3
InChIKeyOQYNQMZQWVYFNB-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.53
Rot. Bonds1

About 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine

6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine (PubChem CID 133463961) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
PubChem CID133463961
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine
SMILESCC1CN(c2ccc3nnnn3n2)C2CCCCC12
InChIInChI=1S/C13H18N6/c1-9-8-18(11-5-3-2-4-10(9)11)13-7-6-12-14-16-17-19(12)15-13/h6-7,9-11H,2-5,8H2,1H3
InChIKeyOQYNQMZQWVYFNB-UHFFFAOYSA-N
XLogP1.53
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylic acid
CID 107070428
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463951
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
6-[2-(bromomethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 80675891
(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
methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
CID 115538219
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine
CID 133463810
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463983
6-(4-methyl-2-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 17449591
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine (CID 133463961) is 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine is CC1CN(c2ccc3nnnn3n2)C2CCCCC12.
What is the InChIKey of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine?
The InChIKey is OQYNQMZQWVYFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-8-18(11-5-3-2-4-10(9)11)13-7-6-12-14-16-17-19(12)15-13/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine?
6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine has a molecular weight of 258.33 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133463961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).