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

C6H7N5O — CID 60710201

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C#N)n1
InChIInChI=1S/C6H7N5O/c1-8-6(12)3-11-4-9-5(2-7)10-11/h4H,3H2,1H3,(H,8,12)
InChIKeyLBRXAIPOPOQOGA-UHFFFAOYSA-N
MW165.16 g/mol
LogP-1.10
Rot. Bonds2

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

2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide (PubChem CID 60710201) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide
PubChem CID60710201
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C#N)n1
InChIInChI=1S/C6H7N5O/c1-8-6(12)3-11-4-9-5(2-7)10-11/h4H,3H2,1H3,(H,8,12)
InChIKeyLBRXAIPOPOQOGA-UHFFFAOYSA-N
XLogP-1.10
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-1H-1,2,4-triazol-1-yl)acetamide
CID 47003260
N-tert-butyl-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 46696725
2-(3-amino-1H-1,2,4-triazol-1-yl)-N-methylacetamide
CID 54595598
2-(3-cyano-1,2,4-triazol-1-yl)-N-(methylcarbamoyl)propanamide
CID 60710127
N-(2-fluoroethyl)-2-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 88390347
N-(2-fluoroethyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 88396662
2-ethyl-N-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 91600834
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 25962261
2-(3-cyano-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 29867665
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47120536
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62949787
2,2,2-trifluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884801

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide (CID 60710201) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(C#N)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide?
The InChIKey is LBRXAIPOPOQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-8-6(12)3-11-4-9-5(2-7)10-11/h4H,3H2,1H3,(H,8,12).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-methylacetamide has a molecular weight of 165.16 g/mol, XLogP of -1.10, 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)-N-methylacetamide is sourced from PubChem (CID 60710201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).