2-(4-formyltriazol-1-yl)-N-methylpropanamide

C7H10N4O2 — CID 66216391

IUPAC2-(4-formyltriazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(C=O)nn1
InChIInChI=1S/C7H10N4O2/c1-5(7(13)8-2)11-3-6(4-12)9-10-11/h3-5H,1-2H3,(H,8,13)
InChIKeyCTQORAMZKPOSTO-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.60
Rot. Bonds3

About 2-(4-formyltriazol-1-yl)-N-methylpropanamide

2-(4-formyltriazol-1-yl)-N-methylpropanamide (PubChem CID 66216391) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-methylpropanamide
PubChem CID66216391
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(4-formyltriazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1cc(C=O)nn1
InChIInChI=1S/C7H10N4O2/c1-5(7(13)8-2)11-3-6(4-12)9-10-11/h3-5H,1-2H3,(H,8,13)
InChIKeyCTQORAMZKPOSTO-UHFFFAOYSA-N
XLogP-0.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-methylpropanamide (CID 66216391) is 2-(4-formyltriazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1cc(C=O)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-methylpropanamide?
The InChIKey is CTQORAMZKPOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5(7(13)8-2)11-3-6(4-12)9-10-11/h3-5H,1-2H3,(H,8,13).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-methylpropanamide?
2-(4-formyltriazol-1-yl)-N-methylpropanamide has a molecular weight of 182.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66216391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).