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

C14H24N4O — CID 97444804

IUPAC2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
SMILESC[C@@H](CN1CCCC1)c1nc(C2CC2)nn1CCO
InChIInChI=1S/C14H24N4O/c1-11(10-17-6-2-3-7-17)14-15-13(12-4-5-12)16-18(14)8-9-19/h11-12,19H,2-10H2,1H3/t11-/m0/s1
InChIKeyIYSXGNNZEBZPGG-NSHDSACASA-N
MW264.37 g/mol
LogP1.35
Rot. Bonds6

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

2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 97444804) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
PubChem CID97444804
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol
SMILESC[C@@H](CN1CCCC1)c1nc(C2CC2)nn1CCO
InChIInChI=1S/C14H24N4O/c1-11(10-17-6-2-3-7-17)14-15-13(12-4-5-12)16-18(14)8-9-19/h11-12,19H,2-10H2,1H3/t11-/m0/s1
InChIKeyIYSXGNNZEBZPGG-NSHDSACASA-N
XLogP1.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol (CID 97444804) is 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol is C[C@@H](CN1CCCC1)c1nc(C2CC2)nn1CCO.
What is the InChIKey of 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is IYSXGNNZEBZPGG-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(10-17-6-2-3-7-17)14-15-13(12-4-5-12)16-18(14)8-9-19/h11-12,19H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 97444804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).