[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone

C19H27N5O2 — CID 167929665

IUPAC[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
SMILESCCN(C)CCc1cn(-c2cccc(C(=O)N3CC(O)CC3C)c2)nn1
InChIInChI=1S/C19H27N5O2/c1-4-22(3)9-8-16-12-24(21-20-16)17-7-5-6-15(11-17)19(26)23-13-18(25)10-14(23)2/h5-7,11-12,14,18,25H,4,8-10,13H2,1-3H3
InChIKeyOYWQMLHEDGIONK-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.36
Rot. Bonds6

About [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone

[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone (PubChem CID 167929665) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
PubChem CID167929665
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
SMILESCCN(C)CCc1cn(-c2cccc(C(=O)N3CC(O)CC3C)c2)nn1
InChIInChI=1S/C19H27N5O2/c1-4-22(3)9-8-16-12-24(21-20-16)17-7-5-6-15(11-17)19(26)23-13-18(25)10-14(23)2/h5-7,11-12,14,18,25H,4,8-10,13H2,1-3H3
InChIKeyOYWQMLHEDGIONK-UHFFFAOYSA-N
XLogP1.36
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone (CID 167929665) is [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone is CCN(C)CCc1cn(-c2cccc(C(=O)N3CC(O)CC3C)c2)nn1.
What is the InChIKey of [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone?
The InChIKey is OYWQMLHEDGIONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-22(3)9-8-16-12-24(21-20-16)17-7-5-6-15(11-17)19(26)23-13-18(25)10-14(23)2/h5-7,11-12,14,18,25H,4,8-10,13H2,1-3H3.
What are the key properties of [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone?
[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 167929665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).