N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide

C9H8ClN5O — CID 115683262

IUPACN-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cccc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c10-7-2-1-3-8(13-7)14-9(16)4-15-6-11-5-12-15/h1-3,5-6H,4H2,(H,13,14,16)
InChIKeyUNOMBAQABIUPKE-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.97
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 115683262) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID115683262
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cccc(Cl)n1
InChIInChI=1S/C9H8ClN5O/c10-7-2-1-3-8(13-7)14-9(16)4-15-6-11-5-12-15/h1-3,5-6H,4H2,(H,13,14,16)
InChIKeyUNOMBAQABIUPKE-UHFFFAOYSA-N
XLogP0.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103479652
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342
N-(6-chloro-3-nitro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 104820358
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
N-(2-amino-4,6-dichlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 16788926
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
N-[4-(azepan-1-ylmethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 46958365

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 115683262) is N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is UNOMBAQABIUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-7-2-1-3-8(13-7)14-9(16)4-15-6-11-5-12-15/h1-3,5-6H,4H2,(H,13,14,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 237.65 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115683262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).