1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

C19H21F3N6 — CID 171327390

IUPAC1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCCc1nnc2c(N3CC(N(C)Cc4ccccc4C(F)(F)F)C3)nccn12
InChIInChI=1S/C19H21F3N6/c1-3-16-24-25-18-17(23-8-9-28(16)18)27-11-14(12-27)26(2)10-13-6-4-5-7-15(13)19(20,21)22/h4-9,14H,3,10-12H2,1-2H3
InChIKeyXGCTXGCSQCJKEY-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.03
Rot. Bonds5

About 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (PubChem CID 171327390) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
PubChem CID171327390
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
SMILESCCc1nnc2c(N3CC(N(C)Cc4ccccc4C(F)(F)F)C3)nccn12
InChIInChI=1S/C19H21F3N6/c1-3-16-24-25-18-17(23-8-9-28(16)18)27-11-14(12-27)26(2)10-13-6-4-5-7-15(13)19(20,21)22/h4-9,14H,3,10-12H2,1-2H3
InChIKeyXGCTXGCSQCJKEY-UHFFFAOYSA-N
XLogP3.03
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine
CID 172904272
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine
CID 171690824
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 171327526
N-[1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 171327471
8-[4-[(2-bromophenyl)methyl]-1,4-diazepan-1-yl]-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 171327374
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 171999350
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171334628
4,6-diiodo-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-5-amine
CID 10885816
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 87015904

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine (CID 171327390) is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is CCc1nnc2c(N3CC(N(C)Cc4ccccc4C(F)(F)F)C3)nccn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
The InChIKey is XGCTXGCSQCJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-3-16-24-25-18-17(23-8-9-28(16)18)27-11-14(12-27)26(2)10-13-6-4-5-7-15(13)19(20,21)22/h4-9,14H,3,10-12H2,1-2H3.
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine?
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine has a molecular weight of 390.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine is sourced from PubChem (CID 171327390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).