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

C12H24N4O2 — CID 72886104

IUPAC2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(CC(C)N(C)C)n(CCO)n1
InChIInChI=1S/C12H24N4O2/c1-10(15(2)3)9-12-13-11(5-8-18-4)14-16(12)6-7-17/h10,17H,5-9H2,1-4H3
InChIKeyJKYNIFFUITUUND-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.05
Rot. Bonds8

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

2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72886104) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72886104
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(CC(C)N(C)C)n(CCO)n1
InChIInChI=1S/C12H24N4O2/c1-10(15(2)3)9-12-13-11(5-8-18-4)14-16(12)6-7-17/h10,17H,5-9H2,1-4H3
InChIKeyJKYNIFFUITUUND-UHFFFAOYSA-N
XLogP-0.05
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol (CID 72886104) is 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol is COCCc1nc(CC(C)N(C)C)n(CCO)n1.
What is the InChIKey of 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is JKYNIFFUITUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(15(2)3)9-12-13-11(5-8-18-4)14-16(12)6-7-17/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol?
2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 256.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)propyl]-3-(2-methoxyethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72886104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).