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

C14H19F3N6 — CID 154759156

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n[nH]1
InChIInChI=1S/C14H19F3N6/c1-9-18-12(21-20-9)8-22(2)5-10-3-4-13-19-11(14(15,16)17)7-23(13)6-10/h7,10H,3-6,8H2,1-2H3,(H,18,20,21)
InChIKeyAAUIFUBVKSZUSH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.02
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 154759156) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID154759156
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1nc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n[nH]1
InChIInChI=1S/C14H19F3N6/c1-9-18-12(21-20-9)8-22(2)5-10-3-4-13-19-11(14(15,16)17)7-23(13)6-10/h7,10H,3-6,8H2,1-2H3,(H,18,20,21)
InChIKeyAAUIFUBVKSZUSH-UHFFFAOYSA-N
XLogP2.02
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 154759156) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1nc(CN(C)CC2CCc3nc(C(F)(F)F)cn3C2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is AAUIFUBVKSZUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-9-18-12(21-20-9)8-22(2)5-10-3-4-13-19-11(14(15,16)17)7-23(13)6-10/h7,10H,3-6,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 328.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 154759156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).