2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride

C8H16Cl2N4O — CID 167739757

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
SMILESCCc1nc(C2CNCCO2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4O.2ClH/c1-2-7-10-8(12-11-7)6-5-9-3-4-13-6;;/h6,9H,2-5H2,1H3,(H,10,11,12);2*1H
InChIKeyBUAHWYLEPCXLRP-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.87
Rot. Bonds2

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride

2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride (PubChem CID 167739757) has the molecular formula C8H16Cl2N4O and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
PubChem CID167739757
Molecular FormulaC8H16Cl2N4O
Molecular Weight255.15 g/mol
Exact Mass254.07
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
SMILESCCc1nc(C2CNCCO2)n[nH]1.Cl.Cl
InChIInChI=1S/C8H14N4O.2ClH/c1-2-7-10-8(12-11-7)6-5-9-3-4-13-6;;/h6,9H,2-5H2,1H3,(H,10,11,12);2*1H
InChIKeyBUAHWYLEPCXLRP-UHFFFAOYSA-N
XLogP0.87
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-morpholin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 138059178
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 127728912
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971782
2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 86276549
4-[[3-(oxolan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 115041635
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 133443852
(3R)-3-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]oxolan-2-one
CID 96996966
2-(3-bromo-5-ethylphenyl)morpholine
CID 84808928
[3-(4-methylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600443
2-(1-ethyltriazol-4-yl)morpholine
CID 84768759

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride (CID 167739757) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride is CCc1nc(C2CNCCO2)n[nH]1.Cl.Cl.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
The InChIKey is BUAHWYLEPCXLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.2ClH/c1-2-7-10-8(12-11-7)6-5-9-3-4-13-6;;/h6,9H,2-5H2,1H3,(H,10,11,12);2*1H.
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride is sourced from PubChem (CID 167739757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).