(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine

C15H24N6O — CID 96997028

IUPAC(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
SMILESCCc1nc([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n[nH]1
InChIInChI=1S/C15H24N6O/c1-4-14-16-15(18-17-14)13-10-20(7-8-22-13)9-12-5-6-21(19-12)11(2)3/h5-6,11,13H,4,7-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRONGCNCBOICJAO-ZDUSSCGKSA-N
MW304.40 g/mol
LogP1.72
Rot. Bonds5

About (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine

(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine (PubChem CID 96997028) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
PubChem CID96997028
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
SMILESCCc1nc([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n[nH]1
InChIInChI=1S/C15H24N6O/c1-4-14-16-15(18-17-14)13-10-20(7-8-22-13)9-12-5-6-21(19-12)11(2)3/h5-6,11,13H,4,7-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyRONGCNCBOICJAO-ZDUSSCGKSA-N
XLogP1.72
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 97059682
[4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 115824593
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872375
2-[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 79669765
2-[3-[[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 96997026
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine (CID 96997028) is (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine is CCc1nc([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n[nH]1.
What is the InChIKey of (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine?
The InChIKey is RONGCNCBOICJAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-14-16-15(18-17-14)13-10-20(7-8-22-13)9-12-5-6-21(19-12)11(2)3/h5-6,11,13H,4,7-10H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine?
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine has a molecular weight of 304.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 96997028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).