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

C16H21F3N6 — CID 129332533

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1nc(C2CC2)n[nH]1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H21F3N6/c1-24(9-13-21-15(23-22-13)11-3-4-11)6-10-2-5-14-20-12(16(17,18)19)8-25(14)7-10/h8,10-11H,2-7,9H2,1H3,(H,21,22,23)/t10-/m1/s1
InChIKeyDLOIXPRJVJXRHF-SNVBAGLBSA-N
MW354.38 g/mol
LogP2.59
Rot. Bonds5

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

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129332533) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129332533
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1nc(C2CC2)n[nH]1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H21F3N6/c1-24(9-13-21-15(23-22-13)11-3-4-11)6-10-2-5-14-20-12(16(17,18)19)8-25(14)7-10/h8,10-11H,2-7,9H2,1H3,(H,21,22,23)/t10-/m1/s1
InChIKeyDLOIXPRJVJXRHF-SNVBAGLBSA-N
XLogP2.59
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129332533) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CN(Cc1nc(C2CC2)n[nH]1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is DLOIXPRJVJXRHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-24(9-13-21-15(23-22-13)11-3-4-11)6-10-2-5-14-20-12(16(17,18)19)8-25(14)7-10/h8,10-11H,2-7,9H2,1H3,(H,21,22,23)/t10-/m1/s1.
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 354.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).