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

C20H16F3N5S — CID 42929958

IUPACN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC(c3ccc4c(c3)CCC4)c3cccs3)nn12
InChIInChI=1S/C20H16F3N5S/c21-20(22,23)19-26-25-17-9-8-16(27-28(17)19)24-18(15-5-2-10-29-15)14-7-6-12-3-1-4-13(12)11-14/h2,5-11,18H,1,3-4H2,(H,24,27)
InChIKeyFALPINQOQMQBIV-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.89
Rot. Bonds4

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

N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 42929958) has the molecular formula C20H16F3N5S and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID42929958
Molecular FormulaC20H16F3N5S
Molecular Weight415.44 g/mol
Exact Mass415.11
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC(c3ccc4c(c3)CCC4)c3cccs3)nn12
InChIInChI=1S/C20H16F3N5S/c21-20(22,23)19-26-25-17-9-8-16(27-28(17)19)24-18(15-5-2-10-29-15)14-7-6-12-3-1-4-13(12)11-14/h2,5-11,18H,1,3-4H2,(H,24,27)
InChIKeyFALPINQOQMQBIV-UHFFFAOYSA-N
XLogP4.89
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51927775
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
N-(4,4,4-trifluorobutan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104854594
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 41135189
N-pent-4-yn-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103705063
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
CID 42924852
4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
CID 42924851
5-chloro-1-methyl-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]imidazole-4-sulfonamide
CID 42955169
N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103705215

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 42929958) is N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NC(c3ccc4c(c3)CCC4)c3cccs3)nn12.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FALPINQOQMQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5S/c21-20(22,23)19-26-25-17-9-8-16(27-28(17)19)24-18(15-5-2-10-29-15)14-7-6-12-3-1-4-13(12)11-14/h2,5-11,18H,1,3-4H2,(H,24,27).
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 415.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 42929958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).