2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol

C14H26N4O — CID 72897882

IUPAC2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol
SMILESCN(C)CCCc1nc(C2CCCC2)nn1CCO
InChIInChI=1S/C14H26N4O/c1-17(2)9-5-8-13-15-14(12-6-3-4-7-12)16-18(13)10-11-19/h12,19H,3-11H2,1-2H3
InChIKeyXBFDBKBVVHIXRG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.42
Rot. Bonds7

About 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol

2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72897882) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72897882
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol
SMILESCN(C)CCCc1nc(C2CCCC2)nn1CCO
InChIInChI=1S/C14H26N4O/c1-17(2)9-5-8-13-15-14(12-6-3-4-7-12)16-18(13)10-11-19/h12,19H,3-11H2,1-2H3
InChIKeyXBFDBKBVVHIXRG-UHFFFAOYSA-N
XLogP1.42
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol (CID 72897882) is 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol is CN(C)CCCc1nc(C2CCCC2)nn1CCO.
What is the InChIKey of 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is XBFDBKBVVHIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17(2)9-5-8-13-15-14(12-6-3-4-7-12)16-18(13)10-11-19/h12,19H,3-11H2,1-2H3.
What are the key properties of 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-5-[3-(dimethylamino)propyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).