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

C17H25F3N6 — CID 128967126

IUPACN-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCC(C)Cn1ncnc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C17H25F3N6/c1-12(2)6-26-16(21-11-22-26)10-24(3)7-13-4-5-15-23-14(17(18,19)20)9-25(15)8-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeySUALYJULODFFJG-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-N-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128967126) has the molecular formula C17H25F3N6 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-methyl-N-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128967126
Molecular FormulaC17H25F3N6
Molecular Weight370.42 g/mol
Exact Mass370.21
IUPAC NameN-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCC(C)Cn1ncnc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C17H25F3N6/c1-12(2)6-26-16(21-11-22-26)10-24(3)7-13-4-5-15-23-14(17(18,19)20)9-25(15)8-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeySUALYJULODFFJG-UHFFFAOYSA-N
XLogP2.84
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128967126) is N-methyl-N-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CC(C)Cn1ncnc1CN(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-methyl-N-[[2-(2-methylpropyl)-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 SUALYJULODFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6/c1-12(2)6-26-16(21-11-22-26)10-24(3)7-13-4-5-15-23-14(17(18,19)20)9-25(15)8-13/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(2-methylpropyl)-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-[[2-(2-methylpropyl)-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 370.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(2-methylpropyl)-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 128967126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).