N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide

C9H14N4O — CID 167754681

IUPACN-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](CC)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4O/c1-4-7(11-8(14)5-2)9-10-6(3)12-13-9/h5,7H,2,4H2,1,3H3,(H,11,14)(H,10,12,13)/t7-/m1/s1
InChIKeyDYBJGBWTBYZIOB-SSDOTTSWSA-N
MW194.24 g/mol
LogP0.87
Rot. Bonds4

About N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide

N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide (PubChem CID 167754681) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide
PubChem CID167754681
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](CC)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4O/c1-4-7(11-8(14)5-2)9-10-6(3)12-13-9/h5,7H,2,4H2,1,3H3,(H,11,14)(H,10,12,13)/t7-/m1/s1
InChIKeyDYBJGBWTBYZIOB-SSDOTTSWSA-N
XLogP0.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-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 N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide (CID 167754681) is N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide is C=CC(=O)N[C@H](CC)c1n[nH]c(C)n1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide?
The InChIKey is DYBJGBWTBYZIOB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-7(11-8(14)5-2)9-10-6(3)12-13-9/h5,7H,2,4H2,1,3H3,(H,11,14)(H,10,12,13)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide?
N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide has a molecular weight of 194.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]prop-2-enamide is sourced from PubChem (CID 167754681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).