2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide

C7H10N4O — CID 118438303

IUPAC2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cnnn1C
InChIInChI=1S/C7H10N4O/c1-5(2)7(12)9-6-4-8-10-11(6)3/h4H,1H2,2-3H3,(H,9,12)
InChIKeyMJBVTUDGVAQPMS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.33
Rot. Bonds2

About 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide

2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide (PubChem CID 118438303) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide
PubChem CID118438303
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cnnn1C
InChIInChI=1S/C7H10N4O/c1-5(2)7(12)9-6-4-8-10-11(6)3/h4H,1H2,2-3H3,(H,9,12)
InChIKeyMJBVTUDGVAQPMS-UHFFFAOYSA-N
XLogP0.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide (CID 118438303) is 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide is C=C(C)C(=O)Nc1cnnn1C.
What is the InChIKey of 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide?
The InChIKey is MJBVTUDGVAQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(2)7(12)9-6-4-8-10-11(6)3/h4H,1H2,2-3H3,(H,9,12).
What are the key properties of 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide?
2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide has a molecular weight of 166.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyltriazol-4-yl)prop-2-enamide is sourced from PubChem (CID 118438303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).