3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride

C15H22ClF3N6O — CID 120828779

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.Cl
InChIInChI=1S/C15H21F3N6O.ClH/c1-8(19-4)7-20-12(25)6-5-11-9(2)21-14-22-13(15(16,17)18)23-24(14)10(11)3;/h8,19H,5-7H2,1-4H3,(H,20,25);1H
InChIKeyNCAWACGRPBQOLN-UHFFFAOYSA-N
MW394.83 g/mol
LogP1.84
Rot. Bonds6

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120828779) has the molecular formula C15H22ClF3N6O and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120828779
Molecular FormulaC15H22ClF3N6O
Molecular Weight394.83 g/mol
Exact Mass394.15
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.Cl
InChIInChI=1S/C15H21F3N6O.ClH/c1-8(19-4)7-20-12(25)6-5-11-9(2)21-14-22-13(15(16,17)18)23-24(14)10(11)3;/h8,19H,5-7H2,1-4H3,(H,20,25);1H
InChIKeyNCAWACGRPBQOLN-UHFFFAOYSA-N
XLogP1.84
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide
CID 120828780
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutan-2-yl)propanamide
CID 51265365
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 18169442
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-pentan-3-ylpropanamide
CID 134030154
N-[(3,5-difluorophenyl)methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 37391156
2-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoylamino]butanoic acid
CID 119223730
N-[2-(diethylamino)-3-phenylpropyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 42956383
N-[(2S)-2-(diethylamino)-3-phenylpropyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 38880122
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 86974109
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 18145929
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
CID 17460504

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120828779) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.Cl.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is NCAWACGRPBQOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O.ClH/c1-8(19-4)7-20-12(25)6-5-11-9(2)21-14-22-13(15(16,17)18)23-24(14)10(11)3;/h8,19H,5-7H2,1-4H3,(H,20,25);1H.
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 394.83 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120828779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).