1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine

C19H23FN6O — CID 171690824

IUPAC1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine
SMILESCCc1nnc2c(N3CC(N(C)Cc4ccc(OC)c(F)c4)C3)nccn12
InChIInChI=1S/C19H23FN6O/c1-4-17-22-23-19-18(21-7-8-26(17)19)25-11-14(12-25)24(2)10-13-5-6-16(27-3)15(20)9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyXIQLHNFZZGGABJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.15
Rot. Bonds6

About 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine (PubChem CID 171690824) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine
PubChem CID171690824
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine
SMILESCCc1nnc2c(N3CC(N(C)Cc4ccc(OC)c(F)c4)C3)nccn12
InChIInChI=1S/C19H23FN6O/c1-4-17-22-23-19-18(21-7-8-26(17)19)25-11-14(12-25)24(2)10-13-5-6-16(27-3)15(20)9-13/h5-9,14H,4,10-12H2,1-3H3
InChIKeyXIQLHNFZZGGABJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605383
N-[(3-fluoro-4-methoxyphenyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 78836350
(4S)-N-[(4-aminopyrimidin-2-yl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazepan-4-amine
CID 129335843
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
CID 51635760
2-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-5-methoxy-1,3-benzothiazole
CID 171323929
N-[(8-ethoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 119102561
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 60681417
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-pyrazol-1-ylazetidin-1-yl)acetamide
CID 56781243
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
(2S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,2-dimethylpiperidine-1-sulfonamide
CID 35311721
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of 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) is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine is CCc1nnc2c(N3CC(N(C)Cc4ccc(OC)c(F)c4)C3)nccn12.
What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine?
The InChIKey is XIQLHNFZZGGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-4-17-22-23-19-18(21-7-8-26(17)19)25-11-14(12-25)24(2)10-13-5-6-16(27-3)15(20)9-13/h5-9,14H,4,10-12H2,1-3H3.
What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine?
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine has a molecular weight of 370.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 171690824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).