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

C7H9N5O2 — CID 62952007

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESN#Cc1ncn(CC(=O)NCCO)n1
InChIInChI=1S/C7H9N5O2/c8-3-6-10-5-12(11-6)4-7(14)9-1-2-13/h5,13H,1-2,4H2,(H,9,14)
InChIKeyYQUIOKBUTCZWSQ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.74
Rot. Bonds4

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

2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 62952007) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID62952007
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESN#Cc1ncn(CC(=O)NCCO)n1
InChIInChI=1S/C7H9N5O2/c8-3-6-10-5-12(11-6)4-7(14)9-1-2-13/h5,13H,1-2,4H2,(H,9,14)
InChIKeyYQUIOKBUTCZWSQ-UHFFFAOYSA-N
XLogP-1.74
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide (CID 62952007) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide is N#Cc1ncn(CC(=O)NCCO)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is YQUIOKBUTCZWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-3-6-10-5-12(11-6)4-7(14)9-1-2-13/h5,13H,1-2,4H2,(H,9,14).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of -1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 62952007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).