1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine

C18H21FN6 — CID 133322811

IUPAC1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
SMILESCc1nc2ncnn2c(N2CCC(Nc3ccccc3F)CC2)c1C
InChIInChI=1S/C18H21FN6/c1-12-13(2)22-18-20-11-21-25(18)17(12)24-9-7-14(8-10-24)23-16-6-4-3-5-15(16)19/h3-6,11,14,23H,7-10H2,1-2H3
InChIKeySWTOMONMNGOZAC-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.96
Rot. Bonds3

About 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine

1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine (PubChem CID 133322811) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
PubChem CID133322811
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine
SMILESCc1nc2ncnn2c(N2CCC(Nc3ccccc3F)CC2)c1C
InChIInChI=1S/C18H21FN6/c1-12-13(2)22-18-20-11-21-25(18)17(12)24-9-7-14(8-10-24)23-16-6-4-3-5-15(16)19/h3-6,11,14,23H,7-10H2,1-2H3
InChIKeySWTOMONMNGOZAC-UHFFFAOYSA-N
XLogP2.96
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine with MolForge

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Related Compounds

5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
5,6-dimethyl-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874109
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
7-(4,4-difluoropiperidin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521895
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methyl-1-phenylmethanesulfonamide
CID 154582766
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 75395163
7-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97066727
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine (CID 133322811) is 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine is Cc1nc2ncnn2c(N2CCC(Nc3ccccc3F)CC2)c1C.
What is the InChIKey of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine?
The InChIKey is SWTOMONMNGOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6/c1-12-13(2)22-18-20-11-21-25(18)17(12)24-9-7-14(8-10-24)23-16-6-4-3-5-15(16)19/h3-6,11,14,23H,7-10H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine?
1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine has a molecular weight of 340.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 133322811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).