5-pyridazin-3-yl-2,3-dihydro-1H-indole

C12H11N3 — CID 160964967

IUPAC5-pyridazin-3-yl-2,3-dihydro-1H-indole
SMILESc1cnnc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C12H11N3/c1-2-12(15-14-6-1)9-3-4-11-10(8-9)5-7-13-11/h1-4,6,8,13H,5,7H2
InChIKeySXMQEJRUROTKBJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.11
Rot. Bonds1

About 5-pyridazin-3-yl-2,3-dihydro-1H-indole

5-pyridazin-3-yl-2,3-dihydro-1H-indole (PubChem CID 160964967) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-pyridazin-3-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-pyridazin-3-yl-2,3-dihydro-1H-indole
PubChem CID160964967
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-pyridazin-3-yl-2,3-dihydro-1H-indole
SMILESc1cnnc(-c2ccc3c(c2)CCN3)c1
InChIInChI=1S/C12H11N3/c1-2-12(15-14-6-1)9-3-4-11-10(8-9)5-7-13-11/h1-4,6,8,13H,5,7H2
InChIKeySXMQEJRUROTKBJ-UHFFFAOYSA-N
XLogP2.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridazin-3-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5-pyridazin-3-yl-2,3-dihydro-1H-indole (CID 160964967) is 5-pyridazin-3-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-pyridazin-3-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-pyridazin-3-yl-2,3-dihydro-1H-indole is c1cnnc(-c2ccc3c(c2)CCN3)c1.
What is the InChIKey of 5-pyridazin-3-yl-2,3-dihydro-1H-indole?
The InChIKey is SXMQEJRUROTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-12(15-14-6-1)9-3-4-11-10(8-9)5-7-13-11/h1-4,6,8,13H,5,7H2.
What are the key properties of 5-pyridazin-3-yl-2,3-dihydro-1H-indole?
5-pyridazin-3-yl-2,3-dihydro-1H-indole has a molecular weight of 197.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridazin-3-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 160964967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).