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

C14H20Cl2N6O — CID 67452403

IUPAC4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride
SMILESCl.Cl.c1cc(-c2nnc3n2CCNC3)nc(N2CCOCC2)c1
InChIInChI=1S/C14H18N6O.2ClH/c1-2-11(14-18-17-13-10-15-4-5-20(13)14)16-12(3-1)19-6-8-21-9-7-19;;/h1-3,15H,4-10H2;2*1H
InChIKeyDEOYLOYVTPKGSB-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.12
Rot. Bonds2

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

4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride (PubChem CID 67452403) has the molecular formula C14H20Cl2N6O and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride
PubChem CID67452403
Molecular FormulaC14H20Cl2N6O
Molecular Weight359.26 g/mol
Exact Mass358.11
IUPAC Name4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride
SMILESCl.Cl.c1cc(-c2nnc3n2CCNC3)nc(N2CCOCC2)c1
InChIInChI=1S/C14H18N6O.2ClH/c1-2-11(14-18-17-13-10-15-4-5-20(13)14)16-12(3-1)19-6-8-21-9-7-19;;/h1-3,15H,4-10H2;2*1H
InChIKeyDEOYLOYVTPKGSB-UHFFFAOYSA-N
XLogP1.12
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 67452805
2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 67451970
2-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;hydrochloride
CID 89488458
2-phenyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
CID 67452161
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 89488476
3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 125448983
3-(3-phenyl-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
CID 89388678
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
CID 96618046
3-(3-chlorothiophen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 80641653
2-pyrazin-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole;dihydrochloride
CID 67454688

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride?
The IUPAC name of 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride (CID 67452403) is 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride is Cl.Cl.c1cc(-c2nnc3n2CCNC3)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride?
The InChIKey is DEOYLOYVTPKGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.2ClH/c1-2-11(14-18-17-13-10-15-4-5-20(13)14)16-12(3-1)19-6-8-21-9-7-19;;/h1-3,15H,4-10H2;2*1H.
What are the key properties of 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride?
4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-pyridinyl]morpholine;dihydrochloride is sourced from PubChem (CID 67452403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).