1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol

C16H26N6O2 — CID 167976553

IUPAC1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)(C)c1n[nH]c(C2CN(CC(O)Cn3cccn3)CCO2)n1
InChIInChI=1S/C16H26N6O2/c1-16(2,3)15-18-14(19-20-15)13-11-21(7-8-24-13)9-12(23)10-22-6-4-5-17-22/h4-6,12-13,23H,7-11H2,1-3H3,(H,18,19,20)
InChIKeyPLXGGNRHVBGVAW-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.73
Rot. Bonds5

About 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol

1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 167976553) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID167976553
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)(C)c1n[nH]c(C2CN(CC(O)Cn3cccn3)CCO2)n1
InChIInChI=1S/C16H26N6O2/c1-16(2,3)15-18-14(19-20-15)13-11-21(7-8-24-13)9-12(23)10-22-6-4-5-17-22/h4-6,12-13,23H,7-11H2,1-3H3,(H,18,19,20)
InChIKeyPLXGGNRHVBGVAW-UHFFFAOYSA-N
XLogP0.73
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 71926965
1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
CID 127614779
(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-[(1S)-cyclohex-2-en-1-yl]morpholine
CID 100837698
(2S)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-[(1S)-cyclohex-2-en-1-yl]morpholine
CID 100837697
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
(3R,5R)-3-[(2R)-2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-5-methyloxolan-2-one
CID 100837670
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-pyrazol-1-ylpropan-2-ol
CID 47053109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol (CID 167976553) is 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol is CC(C)(C)c1n[nH]c(C2CN(CC(O)Cn3cccn3)CCO2)n1.
What is the InChIKey of 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is PLXGGNRHVBGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-16(2,3)15-18-14(19-20-15)13-11-21(7-8-24-13)9-12(23)10-22-6-4-5-17-22/h4-6,12-13,23H,7-11H2,1-3H3,(H,18,19,20).
What are the key properties of 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol?
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 334.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 167976553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).