4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride

C18H21ClN6OS — CID 67453494

IUPAC4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride
SMILESCl.c1cc(N2CCOCC2)ccc1-c1nc(-c2nnc3n2CCNC3)cs1
InChIInChI=1S/C18H20N6OS.ClH/c1-3-14(23-7-9-25-10-8-23)4-2-13(1)18-20-15(12-26-18)17-22-21-16-11-19-5-6-24(16)17;/h1-4,12,19H,5-11H2;1H
InChIKeyRXVVRMRELSXTEY-UHFFFAOYSA-N
MW404.93 g/mol
LogP2.43
Rot. Bonds3

About 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride

4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride (PubChem CID 67453494) has the molecular formula C18H21ClN6OS and a molecular weight of 404.93 g/mol. Its IUPAC name is 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride
PubChem CID67453494
Molecular FormulaC18H21ClN6OS
Molecular Weight404.93 g/mol
Exact Mass404.12
IUPAC Name4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride
SMILESCl.c1cc(N2CCOCC2)ccc1-c1nc(-c2nnc3n2CCNC3)cs1
InChIInChI=1S/C18H20N6OS.ClH/c1-3-14(23-7-9-25-10-8-23)4-2-13(1)18-20-15(12-26-18)17-22-21-16-11-19-5-6-24(16)17;/h1-4,12,19H,5-11H2;1H
InChIKeyRXVVRMRELSXTEY-UHFFFAOYSA-N
XLogP2.43
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.93
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride with MolForge

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Related Compounds

CID 67450682
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CID 2744153
CID 117770082
CID 117770082
CID 67451933
CID 67451933
CID 67452870
CID 67452870
CID 67452932
CID 67452932
CID 67453035
CID 67453035
CID 67453386
CID 67453386
CID 117794666
CID 117794666
CID 123680060
CID 123680060
CID 123742910
CID 123742910

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride (CID 67453494) is 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride is Cl.c1cc(N2CCOCC2)ccc1-c1nc(-c2nnc3n2CCNC3)cs1.
What is the InChIKey of 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride?
The InChIKey is RXVVRMRELSXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS.ClH/c1-3-14(23-7-9-25-10-8-23)4-2-13(1)18-20-15(12-26-18)17-22-21-16-11-19-5-6-24(16)17;/h1-4,12,19H,5-11H2;1H.
What are the key properties of 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride?
4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride has a molecular weight of 404.93 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazol-2-yl]phenyl]morpholine;hydrochloride is sourced from PubChem (CID 67453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).