N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide

C13H14N4O3 — CID 32739728

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14N4O3/c18-13(3-4-17-9-14-8-15-17)16-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7-9H,3-6H2,(H,16,18)
InChIKeyVVYJWLNFOLRAHA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.08
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 32739728) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID32739728
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H14N4O3/c18-13(3-4-17-9-14-8-15-17)16-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7-9H,3-6H2,(H,16,18)
InChIKeyVVYJWLNFOLRAHA-UHFFFAOYSA-N
XLogP1.08
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 32739728) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VVYJWLNFOLRAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-13(3-4-17-9-14-8-15-17)16-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7-9H,3-6H2,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 32739728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).