4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine

C19H21N5OS — CID 133389617

IUPAC4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(CSc2cncc(N3CCOC(Cn4cccn4)C3)n2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-5-16(6-3-1)15-26-19-12-20-11-18(22-19)23-9-10-25-17(13-23)14-24-8-4-7-21-24/h1-8,11-12,17H,9-10,13-15H2
InChIKeyJRGWZKQITZKBEL-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.87
Rot. Bonds6

About 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine

4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 133389617) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID133389617
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1ccc(CSc2cncc(N3CCOC(Cn4cccn4)C3)n2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-5-16(6-3-1)15-26-19-12-20-11-18(22-19)23-9-10-25-17(13-23)14-24-8-4-7-21-24/h1-8,11-12,17H,9-10,13-15H2
InChIKeyJRGWZKQITZKBEL-UHFFFAOYSA-N
XLogP2.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
CID 127298016
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine
CID 133389888
2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
CID 95277594
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133281937
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133390053
7-(6-benzylsulfanylpyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133389951

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine (CID 133389617) is 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine is c1ccc(CSc2cncc(N3CCOC(Cn4cccn4)C3)n2)cc1.
What is the InChIKey of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is JRGWZKQITZKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-2-5-16(6-3-1)15-26-19-12-20-11-18(22-19)23-9-10-25-17(13-23)14-24-8-4-7-21-24/h1-8,11-12,17H,9-10,13-15H2.
What are the key properties of 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine?
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 367.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 133389617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).