N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H16ClN5 — CID 136524609

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12
InChIInChI=1S/C16H16ClN5/c1-2-15-19-20-16-8-7-14(21-22(15)16)18-13-6-3-10-9-11(17)4-5-12(10)13/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,21)
InChIKeyRMNZTHHCDTUWDA-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.44
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 136524609) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID136524609
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12
InChIInChI=1S/C16H16ClN5/c1-2-15-19-20-16-8-7-14(21-22(15)16)18-13-6-3-10-9-11(17)4-5-12(10)13/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,21)
InChIKeyRMNZTHHCDTUWDA-UHFFFAOYSA-N
XLogP3.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-5-chloro-1-ethyl-2,3-dihydro-1H-indene
CID 155718281
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
(1R,2S,3R,5R)-3-[[6-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]-5-methylcyclopentane-1,2-diol
CID 123388620
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 133468614
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 136524609) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RMNZTHHCDTUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-2-15-19-20-16-8-7-14(21-22(15)16)18-13-6-3-10-9-11(17)4-5-12(10)13/h4-5,7-9,13H,2-3,6H2,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 313.79 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 136524609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).