N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide

C10H16N4O — CID 64511183

IUPACN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H16N4O/c1-7(2)5-10(15)14(4)6-9-11-8(3)12-13-9/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyHLPLENXMCUQIIH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds3

About N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide

N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide (PubChem CID 64511183) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide
PubChem CID64511183
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C10H16N4O/c1-7(2)5-10(15)14(4)6-9-11-8(3)12-13-9/h5H,6H2,1-4H3,(H,11,12,13)
InChIKeyHLPLENXMCUQIIH-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide?
The IUPAC name of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide (CID 64511183) is N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide.
What is the SMILES notation for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide?
The canonical SMILES for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide is CC(C)=CC(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide?
The InChIKey is HLPLENXMCUQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)5-10(15)14(4)6-9-11-8(3)12-13-9/h5H,6H2,1-4H3,(H,11,12,13).
What are the key properties of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide?
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide has a molecular weight of 208.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]but-2-enamide is sourced from PubChem (CID 64511183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).