(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide

C9H14N4O — CID 163722621

IUPAC(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide
SMILESCNC(=O)/C=C/CCn1cnnc1C
InChIInChI=1S/C9H14N4O/c1-8-12-11-7-13(8)6-4-3-5-9(14)10-2/h3,5,7H,4,6H2,1-2H3,(H,10,14)/b5-3+
InChIKeyKSVYBUOPBVOWEA-HWKANZROSA-N
MW194.24 g/mol
LogP0.28
Rot. Bonds4

About (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide

(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide (PubChem CID 163722621) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide
PubChem CID163722621
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide
SMILESCNC(=O)/C=C/CCn1cnnc1C
InChIInChI=1S/C9H14N4O/c1-8-12-11-7-13(8)6-4-3-5-9(14)10-2/h3,5,7H,4,6H2,1-2H3,(H,10,14)/b5-3+
InChIKeyKSVYBUOPBVOWEA-HWKANZROSA-N
XLogP0.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide 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 (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide?
The IUPAC name of (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide (CID 163722621) is (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide.
What is the SMILES notation for (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide?
The canonical SMILES for (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide is CNC(=O)/C=C/CCn1cnnc1C.
What is the InChIKey of (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide?
The InChIKey is KSVYBUOPBVOWEA-HWKANZROSA-N. The full InChI is InChI=1S/C9H14N4O/c1-8-12-11-7-13(8)6-4-3-5-9(14)10-2/h3,5,7H,4,6H2,1-2H3,(H,10,14)/b5-3+.
What are the key properties of (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide?
(E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide has a molecular weight of 194.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-(3-methyl-1,2,4-triazol-4-yl)pent-2-enamide is sourced from PubChem (CID 163722621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).