2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide

C9H8ClN5O — CID 62496366

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1-n1cnc(N)n1
InChIInChI=1S/C9H8ClN5O/c10-5-2-1-3-6(7(5)8(11)16)15-4-13-9(12)14-15/h1-4H,(H2,11,16)(H2,12,14)
InChIKeyDWZYMHRMAGSBDG-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.60
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide

2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide (PubChem CID 62496366) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
PubChem CID62496366
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide
SMILESNC(=O)c1c(Cl)cccc1-n1cnc(N)n1
InChIInChI=1S/C9H8ClN5O/c10-5-2-1-3-6(7(5)8(11)16)15-4-13-9(12)14-15/h1-4H,(H2,11,16)(H2,12,14)
InChIKeyDWZYMHRMAGSBDG-UHFFFAOYSA-N
XLogP0.60
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide (CID 62496366) is 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide is NC(=O)c1c(Cl)cccc1-n1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide?
The InChIKey is DWZYMHRMAGSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-5-2-1-3-6(7(5)8(11)16)15-4-13-9(12)14-15/h1-4H,(H2,11,16)(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide?
2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide has a molecular weight of 237.65 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-6-chlorobenzamide is sourced from PubChem (CID 62496366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).