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

C15H18N4O2 — CID 62400417

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2/c20-7-6-14-9-19(18-17-14)10-15(21)16-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,20H,1-3,6-7,10H2,(H,16,21)
InChIKeyORNLYALTDFNBIH-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.94
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 62400417) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID62400417
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2/c20-7-6-14-9-19(18-17-14)10-15(21)16-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,20H,1-3,6-7,10H2,(H,16,21)
InChIKeyORNLYALTDFNBIH-UHFFFAOYSA-N
XLogP0.94
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401336
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
CID 162648543
N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62399634
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 162665699
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 59472728
N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
CID 162642849
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 62400417) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CCO)nn1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is ORNLYALTDFNBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-7-6-14-9-19(18-17-14)10-15(21)16-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-9,20H,1-3,6-7,10H2,(H,16,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62400417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).