N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine

C15H14F3N7 — CID 126920249

IUPACN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)11-2-1-5-19-14(11)20-6-10-7-24(8-10)13-4-3-12-22-21-9-25(12)23-13/h1-5,9-10H,6-8H2,(H,19,20)
InChIKeyLYHLGZPXRVQGLV-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.09
Rot. Bonds4

About N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 126920249) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID126920249
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC NameN-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14F3N7/c16-15(17,18)11-2-1-5-19-14(11)20-6-10-7-24(8-10)13-4-3-12-22-21-9-25(12)23-13/h1-5,9-10H,6-8H2,(H,19,20)
InChIKeyLYHLGZPXRVQGLV-UHFFFAOYSA-N
XLogP2.09
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920240
6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920305
4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
CID 126920285
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126920280
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 61011927
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
CID 126920310
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920306
3-[[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126920303
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841

Frequently Asked Questions

What is the IUPAC name of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 126920249) is N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCC1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LYHLGZPXRVQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c16-15(17,18)11-2-1-5-19-14(11)20-6-10-7-24(8-10)13-4-3-12-22-21-9-25(12)23-13/h1-5,9-10H,6-8H2,(H,19,20).
What are the key properties of N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126920249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).