N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C15H21F3N6 — CID 128965777

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1n[nH]c(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H21F3N6/c1-3-12-20-13(22-21-12)9-23(2)6-10-4-5-14-19-11(15(16,17)18)8-24(14)7-10/h8,10H,3-7,9H2,1-2H3,(H,20,21,22)
InChIKeyICNJEYWRLUEIKY-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128965777) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128965777
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1n[nH]c(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C15H21F3N6/c1-3-12-20-13(22-21-12)9-23(2)6-10-4-5-14-19-11(15(16,17)18)8-24(14)7-10/h8,10H,3-7,9H2,1-2H3,(H,20,21,22)
InChIKeyICNJEYWRLUEIKY-UHFFFAOYSA-N
XLogP2.28
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyrazin-4-ium
CID 165416180
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
7-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 138032824
3-(3-pentylimidazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 91393180
2-[2-[5-(3,3-Difluoropyrrolidin-1-yl)-2-methyl-1,3-dihydro-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 132095484
5,8-Dimethyl-2-[2-[5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethyl)-1,3-dihydro-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 132095524
3-(1,5-dimethylimidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 142348054
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
2-(1H-imidazol-5-yl)-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
CID 81253748
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
1-[(6R)-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 95299744
8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 100664510

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128965777) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CCc1n[nH]c(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is ICNJEYWRLUEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6/c1-3-12-20-13(22-21-12)9-23(2)6-10-4-5-14-19-11(15(16,17)18)8-24(14)7-10/h8,10H,3-7,9H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 342.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 128965777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).