3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C20H23FN6O — CID 133478176

IUPAC3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFc1ccc(C(CNc2nccn3c(C4CC4)nnc23)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN6O/c21-16-5-3-14(4-6-16)17(26-9-11-28-12-10-26)13-23-18-20-25-24-19(15-1-2-15)27(20)8-7-22-18/h3-8,15,17H,1-2,9-13H2,(H,22,23)
InChIKeyMUWLEDOGRWHXRG-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.63
Rot. Bonds6

About 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 133478176) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID133478176
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFc1ccc(C(CNc2nccn3c(C4CC4)nnc23)N2CCOCC2)cc1
InChIInChI=1S/C20H23FN6O/c21-16-5-3-14(4-6-16)17(26-9-11-28-12-10-26)13-23-18-20-25-24-19(15-1-2-15)27(20)8-7-22-18/h3-8,15,17H,1-2,9-13H2,(H,22,23)
InChIKeyMUWLEDOGRWHXRG-UHFFFAOYSA-N
XLogP2.63
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
3-cyclopropyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478419
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiourea
CID 98425540
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 31205411
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
3-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478223

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 133478176) is 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Fc1ccc(C(CNc2nccn3c(C4CC4)nnc23)N2CCOCC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MUWLEDOGRWHXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-16-5-3-14(4-6-16)17(26-9-11-28-12-10-26)13-23-18-20-25-24-19(15-1-2-15)27(20)8-7-22-18/h3-8,15,17H,1-2,9-13H2,(H,22,23).
What are the key properties of 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 382.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 133478176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).