2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide

C5H5N5O — CID 82667977

IUPAC2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H5N5O/c6-2-1-4(11)9-5-7-3-8-10-5/h3H,1H2,(H2,7,8,9,10,11)
InChIKeyYKHXBIAPEIXVPT-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.34
Rot. Bonds2

About 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide

2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 82667977) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID82667977
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H5N5O/c6-2-1-4(11)9-5-7-3-8-10-5/h3H,1H2,(H2,7,8,9,10,11)
InChIKeyYKHXBIAPEIXVPT-UHFFFAOYSA-N
XLogP-0.34
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 82667977) is 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide is N#CCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is YKHXBIAPEIXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-2-1-4(11)9-5-7-3-8-10-5/h3H,1H2,(H2,7,8,9,10,11).
What are the key properties of 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 151.13 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 82667977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).