2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C15H18N4O2 — CID 96525406

IUPAC2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(C[C@H]1CCOc2ccccc21)NCCc1ncn[nH]1
InChIInChI=1S/C15H18N4O2/c20-15(16-7-5-14-17-10-18-19-14)9-11-6-8-21-13-4-2-1-3-12(11)13/h1-4,10-11H,5-9H2,(H,16,20)(H,17,18,19)/t11-/m1/s1
InChIKeyGIRNEAGHJXFWMO-LLVKDONJSA-N
MW286.34 g/mol
LogP1.42
Rot. Bonds5

About 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 96525406) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID96525406
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(C[C@H]1CCOc2ccccc21)NCCc1ncn[nH]1
InChIInChI=1S/C15H18N4O2/c20-15(16-7-5-14-17-10-18-19-14)9-11-6-8-21-13-4-2-1-3-12(11)13/h1-4,10-11H,5-9H2,(H,16,20)(H,17,18,19)/t11-/m1/s1
InChIKeyGIRNEAGHJXFWMO-LLVKDONJSA-N
XLogP1.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 127266589
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64511060
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
2-(3,4-dihydro-2H-chromen-4-yl)-N-pyrazin-2-ylacetamide
CID 75508730
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 96525406) is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(C[C@H]1CCOc2ccccc21)NCCc1ncn[nH]1.
What is the InChIKey of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is GIRNEAGHJXFWMO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(16-7-5-14-17-10-18-19-14)9-11-6-8-21-13-4-2-1-3-12(11)13/h1-4,10-11H,5-9H2,(H,16,20)(H,17,18,19)/t11-/m1/s1.
What are the key properties of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 96525406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).