2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C14H23N5O2 — CID 154745412

IUPAC2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(O)(Cn2ccnn2)C1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-17(12-3-4-12)9-13(20)18-7-5-14(21,10-18)11-19-8-6-15-16-19/h6,8,12,21H,2-5,7,9-11H2,1H3
InChIKeyHNOCLAZVVDOETC-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.27
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 154745412) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID154745412
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(O)(Cn2ccnn2)C1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-2-17(12-3-4-12)9-13(20)18-7-5-14(21,10-18)11-19-8-6-15-16-19/h6,8,12,21H,2-5,7,9-11H2,1H3
InChIKeyHNOCLAZVVDOETC-UHFFFAOYSA-N
XLogP-0.27
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 154745412) is 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is CCN(CC(=O)N1CCC(O)(Cn2ccnn2)C1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HNOCLAZVVDOETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-17(12-3-4-12)9-13(20)18-7-5-14(21,10-18)11-19-8-6-15-16-19/h6,8,12,21H,2-5,7,9-11H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 154745412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).