3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one

C10H16N4O3 — CID 136706828

IUPAC3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC[C@H]1CN(C(=O)c2n[nH]c(=O)[nH]2)CCO1
InChIInChI=1S/C10H16N4O3/c1-2-3-7-6-14(4-5-17-7)9(15)8-11-10(16)13-12-8/h7H,2-6H2,1H3,(H2,11,12,13,16)/t7-/m0/s1
InChIKeyHCNBFIYULXZUQJ-ZETCQYMHSA-N
MW240.26 g/mol
LogP-0.26
Rot. Bonds3

About 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136706828) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136706828
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC[C@H]1CN(C(=O)c2n[nH]c(=O)[nH]2)CCO1
InChIInChI=1S/C10H16N4O3/c1-2-3-7-6-14(4-5-17-7)9(15)8-11-10(16)13-12-8/h7H,2-6H2,1H3,(H2,11,12,13,16)/t7-/m0/s1
InChIKeyHCNBFIYULXZUQJ-ZETCQYMHSA-N
XLogP-0.26
TPSA91.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-piperidin-4-yloxyethylamino)-2H-1,2,4-triazine-3,5-dione
CID 55251628
6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 82692282
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 118795028
2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126835185
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxamide
CID 136232316
3-(2-Propylmorpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136315881
3-[(2R)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706827
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136903589
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136903590
5-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 137025305
3-[2-oxo-2-[(3R)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086682
3-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086683

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136706828) is 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one is CCC[C@H]1CN(C(=O)c2n[nH]c(=O)[nH]2)CCO1.
What is the InChIKey of 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is HCNBFIYULXZUQJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-7-6-14(4-5-17-7)9(15)8-11-10(16)13-12-8/h7H,2-6H2,1H3,(H2,11,12,13,16)/t7-/m0/s1.
What are the key properties of 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 240.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136706828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).