N-(2H-benzotriazol-5-yl)-2-cyanoacetamide

C9H7N5O — CID 168520627

IUPACN-(2H-benzotriazol-5-yl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C9H7N5O/c10-4-3-9(15)11-6-1-2-7-8(5-6)13-14-12-7/h1-2,5H,3H2,(H,11,15)(H,12,13,14)
InChIKeyAONDTKCVAURMPB-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.81
Rot. Bonds2

About N-(2H-benzotriazol-5-yl)-2-cyanoacetamide

N-(2H-benzotriazol-5-yl)-2-cyanoacetamide (PubChem CID 168520627) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-cyanoacetamide
PubChem CID168520627
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC NameN-(2H-benzotriazol-5-yl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C9H7N5O/c10-4-3-9(15)11-6-1-2-7-8(5-6)13-14-12-7/h1-2,5H,3H2,(H,11,15)(H,12,13,14)
InChIKeyAONDTKCVAURMPB-UHFFFAOYSA-N
XLogP0.81
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide
CID 168521505
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(2H-benzotriazol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71918400
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-cyanoacetamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-cyanoacetamide (CID 168520627) is N-(2H-benzotriazol-5-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-cyanoacetamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-cyanoacetamide is N#CCC(=O)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-cyanoacetamide?
The InChIKey is AONDTKCVAURMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-4-3-9(15)11-6-1-2-7-8(5-6)13-14-12-7/h1-2,5H,3H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-cyanoacetamide?
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide has a molecular weight of 201.19 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-cyanoacetamide is sourced from PubChem (CID 168520627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).