3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C17H16N4O — CID 30873243

IUPAC3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C17H16N4O/c1-13-3-2-4-15(9-13)17(22)20-16-7-5-14(6-8-16)10-21-12-18-11-19-21/h2-9,11-12H,10H2,1H3,(H,20,22)
InChIKeyBEEWVQRSBMNMAX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.89
Rot. Bonds4

About 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 30873243) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID30873243
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C17H16N4O/c1-13-3-2-4-15(9-13)17(22)20-16-7-5-14(6-8-16)10-21-12-18-11-19-21/h2-9,11-12H,10H2,1H3,(H,20,22)
InChIKeyBEEWVQRSBMNMAX-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 30873243) is 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is BEEWVQRSBMNMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-3-2-4-15(9-13)17(22)20-16-7-5-14(6-8-16)10-21-12-18-11-19-21/h2-9,11-12H,10H2,1H3,(H,20,22).
What are the key properties of 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 30873243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).