2-(4-formyltriazol-1-yl)acetamide

C5H6N4O2 — CID 66213779

IUPAC2-(4-formyltriazol-1-yl)acetamide
SMILESNC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C5H6N4O2/c6-5(11)2-9-1-4(3-10)7-8-9/h1,3H,2H2,(H2,6,11)
InChIKeyHHAKIUVIRGCRCW-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.42
Rot. Bonds3

About 2-(4-formyltriazol-1-yl)acetamide

2-(4-formyltriazol-1-yl)acetamide (PubChem CID 66213779) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)acetamide
PubChem CID66213779
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name2-(4-formyltriazol-1-yl)acetamide
SMILESNC(=O)Cn1cc(C=O)nn1
InChIInChI=1S/C5H6N4O2/c6-5(11)2-9-1-4(3-10)7-8-9/h1,3H,2H2,(H2,6,11)
InChIKeyHHAKIUVIRGCRCW-UHFFFAOYSA-N
XLogP-1.42
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.42
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)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)acetamide (CID 66213779) is 2-(4-formyltriazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)acetamide is NC(=O)Cn1cc(C=O)nn1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)acetamide?
The InChIKey is HHAKIUVIRGCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-5(11)2-9-1-4(3-10)7-8-9/h1,3H,2H2,(H2,6,11).
What are the key properties of 2-(4-formyltriazol-1-yl)acetamide?
2-(4-formyltriazol-1-yl)acetamide has a molecular weight of 154.13 g/mol, XLogP of -1.42, 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)acetamide is sourced from PubChem (CID 66213779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).