(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

C14H19N7 — CID 98847689

IUPAC(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
SMILESc1cc2nnnn2nc1N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1
InChIInChI=1S/C14H19N7/c1-2-6-19-7-10-8-20(9-11(10)12(19)3-1)14-5-4-13-15-17-18-21(13)16-14/h4-5,10-12H,1-3,6-9H2/t10-,11-,12-/m0/s1
InChIKeyUUOKFHYIBKLPCE-SRVKXCTJSA-N
MW285.35 g/mol
LogP0.44
Rot. Bonds1

About (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

(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 (PubChem CID 98847689) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID98847689
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name(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
SMILESc1cc2nnnn2nc1N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1
InChIInChI=1S/C14H19N7/c1-2-6-19-7-10-8-20(9-11(10)12(19)3-1)14-5-4-13-15-17-18-21(13)16-14/h4-5,10-12H,1-3,6-9H2/t10-,11-,12-/m0/s1
InChIKeyUUOKFHYIBKLPCE-SRVKXCTJSA-N
XLogP0.44
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

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CID 114042524
1-(tetrazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3,4-diol
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6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 26007594
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6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
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6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
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2-[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 97075925

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1cc2nnnn2nc1N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1.
What is the InChIKey of (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?
The InChIKey is UUOKFHYIBKLPCE-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H19N7/c1-2-6-19-7-10-8-20(9-11(10)12(19)3-1)14-5-4-13-15-17-18-21(13)16-14/h4-5,10-12H,1-3,6-9H2/t10-,11-,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 285.35 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 98847689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).