1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

C15H21F3N6 — CID 95299743

IUPAC1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1nccn1CC(F)(F)F)CC2
InChIInChI=1S/C15H21F3N6/c1-2-12-21-22-13-4-3-11(9-24(12)13)7-19-8-14-20-5-6-23(14)10-15(16,17)18/h5-6,11,19H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyUHYGZPBSFVCVPE-NSHDSACASA-N
MW342.37 g/mol
LogP1.95
Rot. Bonds6

About 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (PubChem CID 95299743) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
PubChem CID95299743
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1nccn1CC(F)(F)F)CC2
InChIInChI=1S/C15H21F3N6/c1-2-12-21-22-13-4-3-11(9-24(12)13)7-19-8-14-20-5-6-23(14)10-15(16,17)18/h5-6,11,19H,2-4,7-10H2,1H3/t11-/m0/s1
InChIKeyUHYGZPBSFVCVPE-NSHDSACASA-N
XLogP1.95
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
1-(2,2-dimethylpropyl)-3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine
CID 72905756
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1,4'-bipiperidine
CID 72917024
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
1-(cyclobutylmethyl)-3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72927968
3-ethyl-7-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53562932
3-[[4-(3-Imidazol-1-ylpropyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 132305402
4-imidazol-1-yl-1-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 132383679
3-propan-2-yl-N-[(2S)-4,4,4-trifluoro-2-methylbutyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 164637185
1-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 53580526
3-(1,2,4-Triazol-1-ylmethyl)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 53589150

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (CID 95299743) is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is CCc1nnc2n1C[C@H](CNCc1nccn1CC(F)(F)F)CC2.
What is the InChIKey of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The InChIKey is UHYGZPBSFVCVPE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N6/c1-2-12-21-22-13-4-3-11(9-24(12)13)7-19-8-14-20-5-6-23(14)10-15(16,17)18/h5-6,11,19H,2-4,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine has a molecular weight of 342.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 95299743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).