N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C19H22F3N7 — CID 146078864

IUPACN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nnc2c(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nccn12
InChIInChI=1S/C19H22F3N7/c1-13-25-26-18-17(24-7-10-29(13)18)28-8-4-14(5-9-28)12-27(2)16-11-15(3-6-23-16)19(20,21)22/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3
InChIKeyQSNWSILUKRSURN-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 146078864) has the molecular formula C19H22F3N7 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID146078864
Molecular FormulaC19H22F3N7
Molecular Weight405.43 g/mol
Exact Mass405.19
IUPAC NameN-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nnc2c(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nccn12
InChIInChI=1S/C19H22F3N7/c1-13-25-26-18-17(24-7-10-29(13)18)28-8-4-14(5-9-28)12-27(2)16-11-15(3-6-23-16)19(20,21)22/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3
InChIKeyQSNWSILUKRSURN-UHFFFAOYSA-N
XLogP3.20
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

N-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 146074450
N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 146074614
(3,3-difluorocyclobutyl)-[4-[[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 146077906
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
1-(2,3-dihydroindol-1-yl)-2-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]ethanone
CID 171997570
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
CID 171327156
3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605614
N-(2-bromoethyl)-N-cyclopropyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 80667013
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133398196
8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 163349442

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 146078864) is N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1nnc2c(N3CCC(CN(C)c4cc(C(F)(F)F)ccn4)CC3)nccn12.
What is the InChIKey of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QSNWSILUKRSURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7/c1-13-25-26-18-17(24-7-10-29(13)18)28-8-4-14(5-9-28)12-27(2)16-11-15(3-6-23-16)19(20,21)22/h3,6-7,10-11,14H,4-5,8-9,12H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 405.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 146078864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).