6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine

C11H15N7 — CID 102683928

IUPAC6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1C[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C11H15N7/c1-2-8-6-17(7-9(8)12-5-1)11-4-3-10-13-15-16-18(10)14-11/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyNRNXHLAEXIFAFO-DTWKUNHWSA-N
MW245.29 g/mol
LogP-0.29
Rot. Bonds1

About 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine

6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 102683928) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine
PubChem CID102683928
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1C[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C11H15N7/c1-2-8-6-17(7-9(8)12-5-1)11-4-3-10-13-15-16-18(10)14-11/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1
InChIKeyNRNXHLAEXIFAFO-DTWKUNHWSA-N
XLogP-0.29
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

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
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxamide
CID 102683347
(4aS,7aS)-6-(1-methyltetrazol-5-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683737
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517110
6-pyrazin-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683459
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]pyridine-3-sulfonamide
CID 102683920
[4-[6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]methanamine
CID 68517903
6-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 94135439
ethyl 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-3-carboxylate
CID 102683581
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
5-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]pyrazine-2-carbonitrile
CID 102683740

Frequently Asked Questions

What is the IUPAC name of 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 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) is 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine is c1cc2nnnn2nc1N1C[C@@H]2CCCN[C@@H]2C1.
What is the InChIKey of 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is NRNXHLAEXIFAFO-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H15N7/c1-2-8-6-17(7-9(8)12-5-1)11-4-3-10-13-15-16-18(10)14-11/h3-4,8-9,12H,1-2,5-7H2/t8-,9+/m0/s1.
What are the key properties of 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine?
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 245.29 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 102683928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).