N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine

C13H12ClN3 — CID 65028225

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
SMILESClC1Cc2ccccc2C1Nc1cccnn1
InChIInChI=1S/C13H12ClN3/c14-11-8-9-4-1-2-5-10(9)13(11)16-12-6-3-7-15-17-12/h1-7,11,13H,8H2,(H,16,17)
InChIKeyYPJATNWKTQGATJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.79
Rot. Bonds2

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine (PubChem CID 65028225) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
PubChem CID65028225
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
SMILESClC1Cc2ccccc2C1Nc1cccnn1
InChIInChI=1S/C13H12ClN3/c14-11-8-9-4-1-2-5-10(9)13(11)16-12-6-3-7-15-17-12/h1-7,11,13H,8H2,(H,16,17)
InChIKeyYPJATNWKTQGATJ-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65028737
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-cyclopentylpyridazin-3-amine
CID 62482227

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine (CID 65028225) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine is ClC1Cc2ccccc2C1Nc1cccnn1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine?
The InChIKey is YPJATNWKTQGATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-11-8-9-4-1-2-5-10(9)13(11)16-12-6-3-7-15-17-12/h1-7,11,13H,8H2,(H,16,17).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine has a molecular weight of 245.71 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine is sourced from PubChem (CID 65028225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).