benzamide;4-methyl-2H-triazole

C10H12N4O — CID 175476633

IUPACbenzamide;4-methyl-2H-triazole
SMILESCc1cn[nH]n1.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H5N3/c8-7(9)6-4-2-1-3-5-6;1-3-2-4-6-5-3/h1-5H,(H2,8,9);2H,1H3,(H,4,5,6)
InChIKeyURNVJIRZOYQXSN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.90
Rot. Bonds1

About benzamide;4-methyl-2H-triazole

benzamide;4-methyl-2H-triazole (PubChem CID 175476633) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is benzamide;4-methyl-2H-triazole.

Molecular Properties

Compound Namebenzamide;4-methyl-2H-triazole
PubChem CID175476633
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Namebenzamide;4-methyl-2H-triazole
SMILESCc1cn[nH]n1.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H5N3/c8-7(9)6-4-2-1-3-5-6;1-3-2-4-6-5-3/h1-5H,(H2,8,9);2H,1H3,(H,4,5,6)
InChIKeyURNVJIRZOYQXSN-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzamide;2,3-dimethylbutane
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acetyl chloride;benzamide
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ethane;ethene;4-methyl-2H-triazole
CID 143611255
benzamide;pyridine-4-carboxamide
CID 175267661
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CID 158302663

Frequently Asked Questions

What is the IUPAC name of benzamide;4-methyl-2H-triazole?
The IUPAC name of benzamide;4-methyl-2H-triazole (CID 175476633) is benzamide;4-methyl-2H-triazole.
What is the SMILES notation for benzamide;4-methyl-2H-triazole?
The canonical SMILES for benzamide;4-methyl-2H-triazole is Cc1cn[nH]n1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;4-methyl-2H-triazole?
The InChIKey is URNVJIRZOYQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H5N3/c8-7(9)6-4-2-1-3-5-6;1-3-2-4-6-5-3/h1-5H,(H2,8,9);2H,1H3,(H,4,5,6).
What are the key properties of benzamide;4-methyl-2H-triazole?
benzamide;4-methyl-2H-triazole has a molecular weight of 204.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;4-methyl-2H-triazole is sourced from PubChem (CID 175476633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).