3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one

C7H10N4O3 — CID 136831992

IUPAC3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1n[nH]c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C7H10N4O3/c12-6(5-8-7(13)10-9-5)11-1-3-14-4-2-11/h1-4H2,(H2,8,9,10,13)
InChIKeyJFHVUEADEAOAIR-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.43
Rot. Bonds1

About 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136831992) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136831992
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(c1n[nH]c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C7H10N4O3/c12-6(5-8-7(13)10-9-5)11-1-3-14-4-2-11/h1-4H2,(H2,8,9,10,13)
InChIKeyJFHVUEADEAOAIR-UHFFFAOYSA-N
XLogP-1.43
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

as-Triazine-3,5(2H,4H)-dione, 6-morpholino-
CID 199788
3-(Morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136629424
4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
CID 23272753
2-Methyl-6-morpholin-4-yl-1,2,4-triazine-3,5-dione
CID 23272754
6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410635
6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 63767021
6-(morpholin-4-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 78913019
3-(Piperazine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136314573
N-(2-methoxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831990
N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831995
3-(4-Methylpiperazine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136831997
3-(4-Ethylpiperazine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136831998

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136831992) is 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one is O=C(c1n[nH]c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JFHVUEADEAOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c12-6(5-8-7(13)10-9-5)11-1-3-14-4-2-11/h1-4H2,(H2,8,9,10,13).
What are the key properties of 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 198.18 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136831992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).