5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole

C19H21N5 — CID 71299322

IUPAC5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
SMILES[11CH3]N1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)CC2C1
InChIInChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3/i1-1
InChIKeyQLRNTKYYDKUMQG-BJUDXGSMSA-N
MW318.41 g/mol
LogP2.62
Rot. Bonds2

About 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole

5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole (PubChem CID 71299322) has the molecular formula C19H21N5 and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
PubChem CID71299322
Molecular FormulaC19H21N5
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC Name5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole
SMILES[11CH3]N1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)CC2C1
InChIInChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3/i1-1
InChIKeyQLRNTKYYDKUMQG-BJUDXGSMSA-N
XLogP2.62
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The IUPAC name of 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole (CID 71299322) is 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole.
What is the SMILES notation for 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The canonical SMILES for 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole is [11CH3]N1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)CC2C1.
What is the InChIKey of 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
The InChIKey is QLRNTKYYDKUMQG-BJUDXGSMSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3/i1-1.
What are the key properties of 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole?
5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole has a molecular weight of 318.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-(111C)methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-1H-indole is sourced from PubChem (CID 71299322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).