N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

C18H19F3N8 — CID 171997704

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(c1nccc(C(F)(F)F)n1)C1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H19F3N8/c1-27(17-22-8-6-13(23-17)18(19,20)21)12-7-9-28(10-12)15-5-4-14-24-25-16(11-2-3-11)29(14)26-15/h4-6,8,11-12H,2-3,7,9-10H2,1H3
InChIKeyMVOHKSNIBXWJCS-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.53
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171997704) has the molecular formula C18H19F3N8 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171997704
Molecular FormulaC18H19F3N8
Molecular Weight404.40 g/mol
Exact Mass404.17
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(c1nccc(C(F)(F)F)n1)C1CCN(c2ccc3nnc(C4CC4)n3n2)C1
InChIInChI=1S/C18H19F3N8/c1-27(17-22-8-6-13(23-17)18(19,20)21)12-7-9-28(10-12)15-5-4-14-24-25-16(11-2-3-11)29(14)26-15/h4-6,8,11-12H,2-3,7,9-10H2,1H3
InChIKeyMVOHKSNIBXWJCS-UHFFFAOYSA-N
XLogP2.53
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 126921759
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylpyrimidin-2-amine
CID 126922171
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911123
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 134161451
3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126921747
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126922208
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 171997704) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is CN(c1nccc(C(F)(F)F)n1)C1CCN(c2ccc3nnc(C4CC4)n3n2)C1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MVOHKSNIBXWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N8/c1-27(17-22-8-6-13(23-17)18(19,20)21)12-7-9-28(10-12)15-5-4-14-24-25-16(11-2-3-11)29(14)26-15/h4-6,8,11-12H,2-3,7,9-10H2,1H3.
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 404.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).