N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C10H16N4O2 — CID 103769453

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O2/c1-9(2)6-16-4-3-12-10(15)5-14-8-11-7-13-14/h7-8H,1,3-6H2,2H3,(H,12,15)
InChIKeyNMLJPZHHRBSDNS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.01
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 103769453) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID103769453
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)Cn1cncn1
InChIInChI=1S/C10H16N4O2/c1-9(2)6-16-4-3-12-10(15)5-14-8-11-7-13-14/h7-8H,1,3-6H2,2H3,(H,12,15)
InChIKeyNMLJPZHHRBSDNS-UHFFFAOYSA-N
XLogP-0.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115700396
N-(4-hydroxypentyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 107300236
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61342865
N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 113258479
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542
methyl 2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoacetate
CID 114469599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 103769453) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is C=C(C)COCCNC(=O)Cn1cncn1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is NMLJPZHHRBSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-9(2)6-16-4-3-12-10(15)5-14-8-11-7-13-14/h7-8H,1,3-6H2,2H3,(H,12,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 103769453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).