4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine

C12H16N4S — CID 53172218

IUPAC4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine
SMILESCCc1ncn2ccnc(N3CCSCC3)c12
InChIInChI=1S/C12H16N4S/c1-2-10-11-12(15-5-7-17-8-6-15)13-3-4-16(11)9-14-10/h3-4,9H,2,5-8H2,1H3
InChIKeyQUDBATINQSBOOB-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.84
Rot. Bonds2

About 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine

4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine (PubChem CID 53172218) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine.

Molecular Properties

Compound Name4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine
PubChem CID53172218
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine
SMILESCCc1ncn2ccnc(N3CCSCC3)c12
InChIInChI=1S/C12H16N4S/c1-2-10-11-12(15-5-7-17-8-6-15)13-3-4-16(11)9-14-10/h3-4,9H,2,5-8H2,1H3
InChIKeyQUDBATINQSBOOB-UHFFFAOYSA-N
XLogP1.84
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine?
The IUPAC name of 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine (CID 53172218) is 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine.
What is the SMILES notation for 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine?
The canonical SMILES for 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine is CCc1ncn2ccnc(N3CCSCC3)c12.
What is the InChIKey of 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine?
The InChIKey is QUDBATINQSBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-10-11-12(15-5-7-17-8-6-15)13-3-4-16(11)9-14-10/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine?
4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine has a molecular weight of 248.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazo[1,5-a]pyrazin-8-yl)thiomorpholine is sourced from PubChem (CID 53172218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).