2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol

C14H26N4O2 — CID 97434011

IUPAC2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC[C@@H](c1nc(CCOC)nn1CCO)N1CCCC1
InChIInChI=1S/C14H26N4O2/c1-3-12(17-7-4-5-8-17)14-15-13(6-11-20-2)16-18(14)9-10-19/h12,19H,3-11H2,1-2H3/t12-/m0/s1
InChIKeySMOIICSXBIWEEC-LBPRGKRZSA-N
MW282.39 g/mol
LogP1.01
Rot. Bonds8

About 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol

2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 97434011) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID97434011
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC[C@@H](c1nc(CCOC)nn1CCO)N1CCCC1
InChIInChI=1S/C14H26N4O2/c1-3-12(17-7-4-5-8-17)14-15-13(6-11-20-2)16-18(14)9-10-19/h12,19H,3-11H2,1-2H3/t12-/m0/s1
InChIKeySMOIICSXBIWEEC-LBPRGKRZSA-N
XLogP1.01
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol (CID 97434011) is 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol is CC[C@@H](c1nc(CCOC)nn1CCO)N1CCCC1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is SMOIICSXBIWEEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-12(17-7-4-5-8-17)14-15-13(6-11-20-2)16-18(14)9-10-19/h12,19H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 282.39 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-5-[(1S)-1-pyrrolidin-1-ylpropyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 97434011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).