5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole

C18H19N5 — CID 57467065

IUPAC5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole
SMILESCN1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)C2C1
InChIInChI=1S/C18H19N5/c1-22-9-14-10-23(17(14)11-22)18-5-4-16(20-21-18)12-2-3-15-13(8-12)6-7-19-15/h2-8,14,17,19H,9-11H2,1H3
InChIKeyBYBZQOQTYHDCTN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.38
Rot. Bonds2

About 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole

5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole (PubChem CID 57467065) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole.

Molecular Properties

Compound Name5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole
PubChem CID57467065
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole
SMILESCN1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)C2C1
InChIInChI=1S/C18H19N5/c1-22-9-14-10-23(17(14)11-22)18-5-4-16(20-21-18)12-2-3-15-13(8-12)6-7-19-15/h2-8,14,17,19H,9-11H2,1H3
InChIKeyBYBZQOQTYHDCTN-UHFFFAOYSA-N
XLogP2.38
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole?
The IUPAC name of 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole (CID 57467065) is 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole.
What is the SMILES notation for 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole?
The canonical SMILES for 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole is CN1CC2CN(c3ccc(-c4ccc5[nH]ccc5c4)nn3)C2C1.
What is the InChIKey of 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole?
The InChIKey is BYBZQOQTYHDCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-22-9-14-10-23(17(14)11-22)18-5-4-16(20-21-18)12-2-3-15-13(8-12)6-7-19-15/h2-8,14,17,19H,9-11H2,1H3.
What are the key properties of 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole?
5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole has a molecular weight of 305.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl)pyridazin-3-yl]-1H-indole is sourced from PubChem (CID 57467065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).