6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine

C10H13N7 — CID 114042524

IUPAC6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C10H13N7/c1-2-10(13-17-9(1)12-14-15-17)16-5-7-3-11-4-8(7)6-16/h1-2,7-8,11H,3-6H2/t7-,8+
InChIKeyCVUXETRETORHQD-OCAPTIKFSA-N
MW231.26 g/mol
LogP-0.83
Rot. Bonds1

About 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 114042524) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
PubChem CID114042524
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine
SMILESc1cc2nnnn2nc1N1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C10H13N7/c1-2-10(13-17-9(1)12-14-15-17)16-5-7-3-11-4-8(7)6-16/h1-2,7-8,11H,3-6H2/t7-,8+
InChIKeyCVUXETRETORHQD-OCAPTIKFSA-N
XLogP-0.83
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
CID 106673388
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CID 102683928
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
(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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340307
[6-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanol
CID 102935234
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
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
6-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]tetrazolo[1,5-b]pyridazine
CID 98848601
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine-2-carboxamide
CID 177329084

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 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) is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine is c1cc2nnnn2nc1N1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is CVUXETRETORHQD-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H13N7/c1-2-10(13-17-9(1)12-14-15-17)16-5-7-3-11-4-8(7)6-16/h1-2,7-8,11H,3-6H2/t7-,8+.
What are the key properties of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine?
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 231.26 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 114042524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).