2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C15H25N5O2 — CID 95291830

IUPAC2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H25N5O2/c1-12-16-13(2)20(17-12)10-14-4-3-5-19(14)11-15(21)18-6-8-22-9-7-18/h14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyLTROXEUWPVJFFU-CQSZACIVSA-N
MW307.40 g/mol
LogP0.22
Rot. Bonds4

About 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95291830) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95291830
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C15H25N5O2/c1-12-16-13(2)20(17-12)10-14-4-3-5-19(14)11-15(21)18-6-8-22-9-7-18/h14H,3-11H2,1-2H3/t14-/m1/s1
InChIKeyLTROXEUWPVJFFU-CQSZACIVSA-N
XLogP0.22
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95309298
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 95750486
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 95305223
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95308448
4-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 95292974
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95287104
2-[2-(2-hydroxypropyl)azepan-1-yl]-1-morpholin-4-ylethanone
CID 114338646
2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 94251916
2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 100841395
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 95308402
4-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]butanenitrile
CID 95352436

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 95291830) is 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is Cc1nc(C)n(C[C@H]2CCCN2CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is LTROXEUWPVJFFU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12-16-13(2)20(17-12)10-14-4-3-5-19(14)11-15(21)18-6-8-22-9-7-18/h14H,3-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 307.40 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95291830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).