(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone

C15H19N5O2 — CID 138051926

IUPAC(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
SMILESCOC1CCN(C(=O)c2cn(CCc3ccccn3)nn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-13-6-8-19(10-13)15(21)14-11-20(18-17-14)9-5-12-4-2-3-7-16-12/h2-4,7,11,13H,5-6,8-10H2,1H3
InChIKeyCJVDYDDVFIWZTG-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.78
Rot. Bonds5

About (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone

(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone (PubChem CID 138051926) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
PubChem CID138051926
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
SMILESCOC1CCN(C(=O)c2cn(CCc3ccccn3)nn2)C1
InChIInChI=1S/C15H19N5O2/c1-22-13-6-8-19(10-13)15(21)14-11-20(18-17-14)9-5-12-4-2-3-7-16-12/h2-4,7,11,13H,5-6,8-10H2,1H3
InChIKeyCJVDYDDVFIWZTG-UHFFFAOYSA-N
XLogP0.78
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 42099202
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
[1-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 167769311
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 95209444
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone (CID 138051926) is (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone is COC1CCN(C(=O)c2cn(CCc3ccccn3)nn2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone?
The InChIKey is CJVDYDDVFIWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-13-6-8-19(10-13)15(21)14-11-20(18-17-14)9-5-12-4-2-3-7-16-12/h2-4,7,11,13H,5-6,8-10H2,1H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone?
(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 138051926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).