N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide

C12H16N4O3 — CID 62402252

IUPACN-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C12H16N4O3/c1-15(8-11-3-2-6-19-11)12(18)9-16-7-10(4-5-17)13-14-16/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyHOSUWNQCGJKTIL-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.06
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide (PubChem CID 62402252) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
PubChem CID62402252
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)Cn1cc(CCO)nn1
InChIInChI=1S/C12H16N4O3/c1-15(8-11-3-2-6-19-11)12(18)9-16-7-10(4-5-17)13-14-16/h2-3,6-7,17H,4-5,8-9H2,1H3
InChIKeyHOSUWNQCGJKTIL-UHFFFAOYSA-N
XLogP0.06
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 62054820
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62402251
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 100830284
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55067141
5-(aminomethyl)-1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 103121730
N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401318
N-(furan-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81219868
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 62400746
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide (CID 62402252) is N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide is CN(Cc1ccco1)C(=O)Cn1cc(CCO)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide?
The InChIKey is HOSUWNQCGJKTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-15(8-11-3-2-6-19-11)12(18)9-16-7-10(4-5-17)13-14-16/h2-3,6-7,17H,4-5,8-9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide has a molecular weight of 264.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 62402252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).