N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide

C9H14N4O — CID 134843400

IUPACN-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1cn(C)nn1)C(C)=O
InChIInChI=1S/C9H14N4O/c1-4-5-13(8(2)14)7-9-6-12(3)11-10-9/h4,6H,1,5,7H2,2-3H3
InChIKeyVCPNEORLBSZLCH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.35
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide

N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 134843400) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide
PubChem CID134843400
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1cn(C)nn1)C(C)=O
InChIInChI=1S/C9H14N4O/c1-4-5-13(8(2)14)7-9-6-12(3)11-10-9/h4,6H,1,5,7H2,2-3H3
InChIKeyVCPNEORLBSZLCH-UHFFFAOYSA-N
XLogP0.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide (CID 134843400) is N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1cn(C)nn1)C(C)=O.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is VCPNEORLBSZLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-5-13(8(2)14)7-9-6-12(3)11-10-9/h4,6H,1,5,7H2,2-3H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide?
N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 194.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 134843400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).