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

C9H8N4O — CID 676579

IUPACN-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1
InChIInChI=1S/C9H8N4O/c14-9(8-4-2-1-3-5-8)12-13-6-10-11-7-13/h1-7H,(H,12,14)
InChIKeyQLANQXWHADSQNX-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.66
Rot. Bonds2

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

N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 676579) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)benzamide
PubChem CID676579
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1
InChIInChI=1S/C9H8N4O/c14-9(8-4-2-1-3-5-8)12-13-6-10-11-7-13/h1-7H,(H,12,14)
InChIKeyQLANQXWHADSQNX-UHFFFAOYSA-N
XLogP0.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide
CID 690470
3-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 807494
4-tert-butyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814667
4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
4-cyano-N-(1,2,4-triazol-4-yl)benzamide
CID 2409153
3,4-dichloro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3432676
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
CID 885905

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)benzamide (CID 676579) is N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccccc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QLANQXWHADSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-9(8-4-2-1-3-5-8)12-13-6-10-11-7-13/h1-7H,(H,12,14).
What are the key properties of N-(1,2,4-triazol-4-yl)benzamide?
N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 188.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 676579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).