3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide

C15H15N5O2 — CID 742349

IUPAC3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCn1nnc2ccccc21)c1ccco1
InChIInChI=1S/C15H15N5O2/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyJKHCODLGWJBVLA-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.95
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide

3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide (PubChem CID 742349) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide
PubChem CID742349
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide
SMILESCC(=NNC(=O)CCn1nnc2ccccc21)c1ccco1
InChIInChI=1S/C15H15N5O2/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyJKHCODLGWJBVLA-UHFFFAOYSA-N
XLogP1.95
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide (CID 742349) is 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide is CC(=NNC(=O)CCn1nnc2ccccc21)c1ccco1.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide?
The InChIKey is JKHCODLGWJBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-11(14-7-4-10-22-14)16-18-15(21)8-9-20-13-6-3-2-5-12(13)17-19-20/h2-7,10H,8-9H2,1H3,(H,18,21).
What are the key properties of 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide?
3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide has a molecular weight of 297.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]propanamide is sourced from PubChem (CID 742349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).