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

C9H8N4O — CID 728002

IUPACN-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C9H8N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h1-6H,(H2,10,11,12,13,14)
InChIKeyXGLLDHTXWOIYCZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.06
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 728002) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID728002
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C9H8N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h1-6H,(H2,10,11,12,13,14)
InChIKeyXGLLDHTXWOIYCZ-UHFFFAOYSA-N
XLogP1.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 839995
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
4-cyano-N-(1,2,4-triazol-4-yl)benzamide
CID 2409153
2,4-dichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3959697
2-(allylthio)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 16477392
3,4-dichloro-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 17385460
2-fluoro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135465188
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953429

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)benzamide (CID 728002) is N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is XGLLDHTXWOIYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h1-6H,(H2,10,11,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)benzamide?
N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 188.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 728002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).