2-(3-cyano-1,2,4-triazol-1-yl)acetamide

C5H5N5O — CID 47003260

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(N)=O)n1
InChIInChI=1S/C5H5N5O/c6-1-5-8-3-10(9-5)2-4(7)11/h3H,2H2,(H2,7,11)
InChIKeyIMCWBQIDQSRZMJ-UHFFFAOYSA-N
MW151.13 g/mol
LogP-1.36
Rot. Bonds2

About 2-(3-cyano-1,2,4-triazol-1-yl)acetamide

2-(3-cyano-1,2,4-triazol-1-yl)acetamide (PubChem CID 47003260) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)acetamide
PubChem CID47003260
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(N)=O)n1
InChIInChI=1S/C5H5N5O/c6-1-5-8-3-10(9-5)2-4(7)11/h3H,2H2,(H2,7,11)
InChIKeyIMCWBQIDQSRZMJ-UHFFFAOYSA-N
XLogP-1.36
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)acetamide (CID 47003260) is 2-(3-cyano-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)acetamide is N#Cc1ncn(CC(N)=O)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The InChIKey is IMCWBQIDQSRZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-1-5-8-3-10(9-5)2-4(7)11/h3H,2H2,(H2,7,11).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)acetamide has a molecular weight of 151.13 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 47003260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).