2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone

C8H10Cl2N4O2 — CID 648485

IUPAC2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(Cl)nc1Cl)N1CCOCC1
InChIInChI=1S/C8H10Cl2N4O2/c9-7-11-8(10)14(12-7)5-6(15)13-1-3-16-4-2-13/h1-5H2
InChIKeyGTQMNSGFOUXPOV-UHFFFAOYSA-N
MW265.10 g/mol
LogP0.44
Rot. Bonds2

About 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone

2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 648485) has the molecular formula C8H10Cl2N4O2 and a molecular weight of 265.10 g/mol. Its IUPAC name is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID648485
Molecular FormulaC8H10Cl2N4O2
Molecular Weight265.10 g/mol
Exact Mass264.02
IUPAC Name2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc(Cl)nc1Cl)N1CCOCC1
InChIInChI=1S/C8H10Cl2N4O2/c9-7-11-8(10)14(12-7)5-6(15)13-1-3-16-4-2-13/h1-5H2
InChIKeyGTQMNSGFOUXPOV-UHFFFAOYSA-N
XLogP0.44
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 9420895
4-[2-(3,5-dichloro-1,2,4-triazol-1-yl)acetyl]piperazine-1-carbothioamide
CID 87557458
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944330
2-(5-imidazol-1-yl-3-nitro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 5297429
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylethanone
CID 749623
2-[1-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]acetic acid
CID 84758764
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
CID 43647773
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
CID 2411932
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1223613

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone (CID 648485) is 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone is O=C(Cn1nc(Cl)nc1Cl)N1CCOCC1.
What is the InChIKey of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is GTQMNSGFOUXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O2/c9-7-11-8(10)14(12-7)5-6(15)13-1-3-16-4-2-13/h1-5H2.
What are the key properties of 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone?
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 265.10 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 648485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).