N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

C13H14N4O4 — CID 62401336

IUPACN-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H14N4O4/c18-4-3-10-6-17(16-15-10)7-13(19)14-9-1-2-11-12(5-9)21-8-20-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,19)
InChIKeyYZPPYFGPQKMPJZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.18
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 62401336) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID62401336
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H14N4O4/c18-4-3-10-6-17(16-15-10)7-13(19)14-9-1-2-11-12(5-9)21-8-20-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,19)
InChIKeyYZPPYFGPQKMPJZ-UHFFFAOYSA-N
XLogP0.18
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214852
methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521611
N-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-5-propyltriazol-1-yl]acetamide
CID 94946290
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
4-[[4-(aminomethyl)triazol-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidine-1-carboxamide
CID 31004466
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-[5-(2-bromophenyl)tetrazol-2-yl]acetamide
CID 7963833
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propyltriazol-1-yl)ethyl]oxan-3-yl]urea
CID 54642454
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62401710
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060708

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 62401336) is N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is YZPPYFGPQKMPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-4-3-10-6-17(16-15-10)7-13(19)14-9-1-2-11-12(5-9)21-8-20-11/h1-2,5-6,18H,3-4,7-8H2,(H,14,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 290.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62401336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).