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

C19H21F3N8 — CID 126890840

IUPACN-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc2ccc(N3CCC(N(c4cc(C(F)(F)F)ncn4)C4CC4)CC3)nn12
InChIInChI=1S/C19H21F3N8/c1-12-25-26-16-4-5-17(27-30(12)16)28-8-6-14(7-9-28)29(13-2-3-13)18-10-15(19(20,21)22)23-11-24-18/h4-5,10-11,13-14H,2-3,6-9H2,1H3
InChIKeyWWHPBKAGEDLSRO-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.88
Rot. Bonds4

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

N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890840) has the molecular formula C19H21F3N8 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890840
Molecular FormulaC19H21F3N8
Molecular Weight418.43 g/mol
Exact Mass418.18
IUPAC NameN-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc2ccc(N3CCC(N(c4cc(C(F)(F)F)ncn4)C4CC4)CC3)nn12
InChIInChI=1S/C19H21F3N8/c1-12-25-26-16-4-5-17(27-30(12)16)28-8-6-14(7-9-28)29(13-2-3-13)18-10-15(19(20,21)22)23-11-24-18/h4-5,10-11,13-14H,2-3,6-9H2,1H3
InChIKeyWWHPBKAGEDLSRO-UHFFFAOYSA-N
XLogP2.88
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
N-cyclopropyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126891020
N-cyclopropyl-N-[1-(7H-purin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890839
N-cyclopropyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890935
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
3-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308225
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126890835
N-cyclopropyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890925
N-cyclopropyl-N-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890832
cyclopropyl-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126890785

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890840) is N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nnc2ccc(N3CCC(N(c4cc(C(F)(F)F)ncn4)C4CC4)CC3)nn12.
What is the InChIKey of N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WWHPBKAGEDLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8/c1-12-25-26-16-4-5-17(27-30(12)16)28-8-6-14(7-9-28)29(13-2-3-13)18-10-15(19(20,21)22)23-11-24-18/h4-5,10-11,13-14H,2-3,6-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 418.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).