(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide

C11H18N4O — CID 47036464

IUPAC(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1nncn1CC
InChIInChI=1S/C11H18N4O/c1-4-6-9(3)11(16)12-7-10-14-13-8-15(10)5-2/h6,8H,4-5,7H2,1-3H3,(H,12,16)/b9-6-
InChIKeyUTCGLKCSDQKQCQ-TWGQIWQCSA-N
MW222.29 g/mol
LogP1.27
Rot. Bonds5

About (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide

(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide (PubChem CID 47036464) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide
PubChem CID47036464
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCc1nncn1CC
InChIInChI=1S/C11H18N4O/c1-4-6-9(3)11(16)12-7-10-14-13-8-15(10)5-2/h6,8H,4-5,7H2,1-3H3,(H,12,16)/b9-6-
InChIKeyUTCGLKCSDQKQCQ-TWGQIWQCSA-N
XLogP1.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide (CID 47036464) is (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCc1nncn1CC.
What is the InChIKey of (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide?
The InChIKey is UTCGLKCSDQKQCQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-6-9(3)11(16)12-7-10-14-13-8-15(10)5-2/h6,8H,4-5,7H2,1-3H3,(H,12,16)/b9-6-.
What are the key properties of (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide?
(Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide has a molecular weight of 222.29 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpent-2-enamide is sourced from PubChem (CID 47036464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).