N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide

C8H12N4O — CID 114618475

IUPACN-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
SMILESC=C(C)CNC(=O)Cn1ccnn1
InChIInChI=1S/C8H12N4O/c1-7(2)5-9-8(13)6-12-4-3-10-11-12/h3-4H,1,5-6H2,2H3,(H,9,13)
InChIKeyXQEBBRFFBGBWKR-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.03
Rot. Bonds4

About N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide

N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide (PubChem CID 114618475) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
PubChem CID114618475
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
SMILESC=C(C)CNC(=O)Cn1ccnn1
InChIInChI=1S/C8H12N4O/c1-7(2)5-9-8(13)6-12-4-3-10-11-12/h3-4H,1,5-6H2,2H3,(H,9,13)
InChIKeyXQEBBRFFBGBWKR-UHFFFAOYSA-N
XLogP-0.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
CID 81484813
N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
CID 103825183
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
CID 113264687
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
N-[(2S)-1-hydroxybutan-2-yl]-2-(triazol-1-yl)acetamide
CID 104981673

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide (CID 114618475) is N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide is C=C(C)CNC(=O)Cn1ccnn1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide?
The InChIKey is XQEBBRFFBGBWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-7(2)5-9-8(13)6-12-4-3-10-11-12/h3-4H,1,5-6H2,2H3,(H,9,13).
What are the key properties of N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide?
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 114618475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).