N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide

C11H12N4O4 — CID 81444763

IUPACN-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide
SMILESCC(O)c1cn(CC(=O)NC(=O)c2ccco2)nn1
InChIInChI=1S/C11H12N4O4/c1-7(16)8-5-15(14-13-8)6-10(17)12-11(18)9-3-2-4-19-9/h2-5,7,16H,6H2,1H3,(H,12,17,18)
InChIKeyAQLYZYWFHWGVLY-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.12
Rot. Bonds4

About N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide

N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide (PubChem CID 81444763) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide
PubChem CID81444763
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide
SMILESCC(O)c1cn(CC(=O)NC(=O)c2ccco2)nn1
InChIInChI=1S/C11H12N4O4/c1-7(16)8-5-15(14-13-8)6-10(17)12-11(18)9-3-2-4-19-9/h2-5,7,16H,6H2,1H3,(H,12,17,18)
InChIKeyAQLYZYWFHWGVLY-UHFFFAOYSA-N
XLogP-0.12
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
CID 95721059
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
N-(2-ethyl-6-methylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80735512
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 80743458
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 81436112
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204
S-[2-(furan-2-carbonylamino)-2-oxoethyl] ethanethioate
CID 23347862
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 154750390

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide (CID 81444763) is N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide is CC(O)c1cn(CC(=O)NC(=O)c2ccco2)nn1.
What is the InChIKey of N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide?
The InChIKey is AQLYZYWFHWGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-7(16)8-5-15(14-13-8)6-10(17)12-11(18)9-3-2-4-19-9/h2-5,7,16H,6H2,1H3,(H,12,17,18).
What are the key properties of N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide?
N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide has a molecular weight of 264.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]furan-2-carboxamide is sourced from PubChem (CID 81444763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).