2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide

C11H15N5O — CID 114387561

IUPAC2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
SMILESCC(C(=O)Nc1nnc(C)c(C)n1)=C1CNC1
InChIInChI=1S/C11H15N5O/c1-6(9-4-12-5-9)10(17)14-11-13-7(2)8(3)15-16-11/h12H,4-5H2,1-3H3,(H,13,14,16,17)
InChIKeyYEFVTNAVRHVMBV-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.35
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide

2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide (PubChem CID 114387561) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
PubChem CID114387561
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
SMILESCC(C(=O)Nc1nnc(C)c(C)n1)=C1CNC1
InChIInChI=1S/C11H15N5O/c1-6(9-4-12-5-9)10(17)14-11-13-7(2)8(3)15-16-11/h12H,4-5H2,1-3H3,(H,13,14,16,17)
InChIKeyYEFVTNAVRHVMBV-UHFFFAOYSA-N
XLogP0.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide (CID 114387561) is 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide is CC(C(=O)Nc1nnc(C)c(C)n1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
The InChIKey is YEFVTNAVRHVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6(9-4-12-5-9)10(17)14-11-13-7(2)8(3)15-16-11/h12H,4-5H2,1-3H3,(H,13,14,16,17).
What are the key properties of 2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
2-(azetidin-3-ylidene)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 0.35, 2 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-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 114387561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).