6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine

C14H20N6 — CID 124881315

IUPAC6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(N3CC[C@@H]4CCN(C)C[C@@H]43)nn2n1
InChIInChI=1S/C14H20N6/c1-10-15-13-3-4-14(17-20(13)16-10)19-8-6-11-5-7-18(2)9-12(11)19/h3-4,11-12H,5-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyALHQEHRXOPWDEF-RYUDHWBXSA-N
MW272.36 g/mol
LogP0.96
Rot. Bonds1

About 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine

6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 124881315) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID124881315
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1nc2ccc(N3CC[C@@H]4CCN(C)C[C@@H]43)nn2n1
InChIInChI=1S/C14H20N6/c1-10-15-13-3-4-14(17-20(13)16-10)19-8-6-11-5-7-18(2)9-12(11)19/h3-4,11-12H,5-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyALHQEHRXOPWDEF-RYUDHWBXSA-N
XLogP0.96
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 124881315) is 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1nc2ccc(N3CC[C@@H]4CCN(C)C[C@@H]43)nn2n1.
What is the InChIKey of 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is ALHQEHRXOPWDEF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-15-13-3-4-14(17-20(13)16-10)19-8-6-11-5-7-18(2)9-12(11)19/h3-4,11-12H,5-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 272.36 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,7aR)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-2-methyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 124881315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).