1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine

C14H22F3N5 — CID 136512615

IUPAC1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2nnc3n2CCCC3C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N5/c1-21-7-4-10(5-8-21)18-9-12-19-20-13-11(14(15,16)17)3-2-6-22(12)13/h10-11,18H,2-9H2,1H3
InChIKeyWGGPWMNRSAFKLM-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine

1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine (PubChem CID 136512615) has the molecular formula C14H22F3N5 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine
PubChem CID136512615
Molecular FormulaC14H22F3N5
Molecular Weight317.36 g/mol
Exact Mass317.18
IUPAC Name1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2nnc3n2CCCC3C(F)(F)F)CC1
InChIInChI=1S/C14H22F3N5/c1-21-7-4-10(5-8-21)18-9-12-19-20-13-11(14(15,16)17)3-2-6-22(12)13/h10-11,18H,2-9H2,1H3
InChIKeyWGGPWMNRSAFKLM-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
7-(cyclohexylmethyl)-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 134793426
2-(5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)piperidine
CID 50986273
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CID 71756350
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416
(3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine
CID 83678785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine (CID 136512615) is 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine is CN1CCC(NCc2nnc3n2CCCC3C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine?
The InChIKey is WGGPWMNRSAFKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5/c1-21-7-4-10(5-8-21)18-9-12-19-20-13-11(14(15,16)17)3-2-6-22(12)13/h10-11,18H,2-9H2,1H3.
What are the key properties of 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine?
1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine has a molecular weight of 317.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 136512615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).