3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

C7H12N4O2 — CID 136629424

IUPAC3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCOCC2)[nH]1
InChIInChI=1S/C7H12N4O2/c12-7-8-6(9-10-7)5-11-1-3-13-4-2-11/h1-5H2,(H2,8,9,10,12)
InChIKeyJEAMHPFACUUAKA-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.07
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136629424) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136629424
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CN2CCOCC2)[nH]1
InChIInChI=1S/C7H12N4O2/c12-7-8-6(9-10-7)5-11-1-3-13-4-2-11/h1-5H2,(H2,8,9,10,12)
InChIKeyJEAMHPFACUUAKA-UHFFFAOYSA-N
XLogP-1.07
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(morpholin-4-ylmethyl)-5-oxo-4H-1,2,4-triazol-1-yl]phosphonic acid
CID 137067360
3-Morpholin-3-yl-1,4-dihydro-1,2,4-triazol-5-one
CID 136248347
3-(4-Methylmorpholin-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136277918
3-[(2-Methoxyethylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136280670
3-[[4-(2-Hydroxyethyl)piperazin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689782
3-(Morpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136831992
N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136831995
3-(7-Oxa-4-azaspiro[2.5]octan-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137205612
[3-(morpholin-4-ylmethyl)-5-oxo-4H-1,2,4-triazol-1-yl]phosphinous acid
CID 144170504
[3-(morpholin-4-ylmethyl)-5-oxo-4H-1,2,4-triazol-1-yl]phosphonous acid
CID 145321364

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136629424) is 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(CN2CCOCC2)[nH]1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JEAMHPFACUUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c12-7-8-6(9-10-7)5-11-1-3-13-4-2-11/h1-5H2,(H2,8,9,10,12).
What are the key properties of 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 184.20 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136629424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).