2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide

C14H15N5O — CID 116675099

IUPAC2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2nccn2)cc1)=C1CNC1
InChIInChI=1S/C14H15N5O/c1-10(11-8-15-9-11)14(20)18-12-2-4-13(5-3-12)19-16-6-7-17-19/h2-7,15H,8-9H2,1H3,(H,18,20)
InChIKeyHLRHOQPJHVDHQI-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.13
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide

2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide (PubChem CID 116675099) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
PubChem CID116675099
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2nccn2)cc1)=C1CNC1
InChIInChI=1S/C14H15N5O/c1-10(11-8-15-9-11)14(20)18-12-2-4-13(5-3-12)19-16-6-7-17-19/h2-7,15H,8-9H2,1H3,(H,18,20)
InChIKeyHLRHOQPJHVDHQI-UHFFFAOYSA-N
XLogP1.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
CID 116677354
2-(azetidin-3-ylidene)-N-[4-(dimethylamino)phenyl]propanamide
CID 116675007
2-(azetidin-3-ylidene)-N-quinoxalin-6-ylpropanamide
CID 116675974
2-(azetidin-3-ylidene)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 116676072
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675629
4-[2-(azetidin-3-ylidene)propanoylamino]-N-propan-2-ylbenzamide
CID 116676031
2-(azetidin-3-ylidene)-N-(3,4-dimethoxyphenyl)propanamide
CID 116674383
2-(azetidin-3-ylidene)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 116675707
2-(azetidin-3-ylidene)-N-(3-methylphenyl)propanamide
CID 116674576
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
CID 165484838
2-(azetidin-3-ylidene)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 116675339
1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
CID 78896659

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide (CID 116675099) is 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-n2nccn2)cc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide?
The InChIKey is HLRHOQPJHVDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(11-8-15-9-11)14(20)18-12-2-4-13(5-3-12)19-16-6-7-17-19/h2-7,15H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide?
2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide has a molecular weight of 269.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 116675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).