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

C10H10N4O — CID 2247187

IUPAC2-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C10H10N4O/c1-8-4-2-3-5-9(8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyMOUZFFYRSYYTGD-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.97
Rot. Bonds2

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

2-methyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2247187) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2247187
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccccc1C(=O)Nn1cnnc1
InChIInChI=1S/C10H10N4O/c1-8-4-2-3-5-9(8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyMOUZFFYRSYYTGD-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 814664
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CID 871044
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CID 676579
CID 676579
CID 807494
CID 807494
CID 814667
CID 814667
CID 814676
CID 814676
CID 2409153
CID 2409153
CID 814674
CID 814674
CID 885905
CID 885905
CID 576827
CID 576827
CID 595272
CID 595272
CID 887464
CID 887464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazol-4-yl)benzamide (CID 2247187) is 2-methyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1ccccc1C(=O)Nn1cnnc1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is MOUZFFYRSYYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8-4-2-3-5-9(8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15).
What are the key properties of 2-methyl-N-(1,2,4-triazol-4-yl)benzamide?
2-methyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2247187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).