N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

C12H16N4O3 — CID 62401318

IUPACN-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1cc(CCO)nn1)c1ccco1
InChIInChI=1S/C12H16N4O3/c1-9(11-3-2-6-19-11)13-12(18)8-16-7-10(4-5-17)14-15-16/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,13,18)
InChIKeyGCEKSOFMGVUNAF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.28
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 62401318) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID62401318
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1cc(CCO)nn1)c1ccco1
InChIInChI=1S/C12H16N4O3/c1-9(11-3-2-6-19-11)13-12(18)8-16-7-10(4-5-17)14-15-16/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,13,18)
InChIKeyGCEKSOFMGVUNAF-UHFFFAOYSA-N
XLogP0.28
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 62401318) is N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is CC(NC(=O)Cn1cc(CCO)nn1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is GCEKSOFMGVUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9(11-3-2-6-19-11)13-12(18)8-16-7-10(4-5-17)14-15-16/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,13,18).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62401318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).