N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H21F3N6 — CID 60504301

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C18H21F3N6/c1-12(2)26(3)11-14-7-5-4-6-13(14)10-22-15-8-9-16-23-24-17(18(19,20)21)27(16)25-15/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyCOYUUQQICYKWAT-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.60
Rot. Bonds6

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

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 60504301) has the molecular formula C18H21F3N6 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID60504301
Molecular FormulaC18H21F3N6
Molecular Weight378.40 g/mol
Exact Mass378.18
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C18H21F3N6/c1-12(2)26(3)11-14-7-5-4-6-13(14)10-22-15-8-9-16-23-24-17(18(19,20)21)27(16)25-15/h4-9,12H,10-11H2,1-3H3,(H,22,25)
InChIKeyCOYUUQQICYKWAT-UHFFFAOYSA-N
XLogP3.60
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-dimethyl-3-phenyl-
CID 3071194
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-diethyl-3-phenyl-
CID 3071195
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-N-methyl-3-phenyl-
CID 3071198
Akt-l-1
CID 10271028
BS-181
CID 49867929
L-Moses
CID 131698638
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
N-(4-methylbenzyl)-3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 2727469
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-methyl-3-phenyl-
CID 3071189
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N-ethyl-3-phenyl-
CID 3071190

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 60504301) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)N(C)Cc1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is COYUUQQICYKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6/c1-12(2)26(3)11-14-7-5-4-6-13(14)10-22-15-8-9-16-23-24-17(18(19,20)21)27(16)25-15/h4-9,12H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 378.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 60504301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).