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

C15H21F3N6 — CID 129335088

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1n[nH]c(CN(C)C[C@@H]2CCc3nc(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)/t10-/m0/s1
InChIKeyICNJEYWRLUEIKY-JTQLQIEISA-N
MW342.37 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6S)-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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129335088) 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-[(6S)-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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129335088
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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCCc1n[nH]c(CN(C)C[C@@H]2CCc3nc(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)/t10-/m0/s1
InChIKeyICNJEYWRLUEIKY-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6S)-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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129335088) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6S)-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-[(6S)-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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CCc1n[nH]c(CN(C)C[C@@H]2CCc3nc(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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is ICNJEYWRLUEIKY-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6S)-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-[(6S)-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-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129335088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).