4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide

C19H21N5O — CID 2738918

IUPAC4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N5O/c1-14-18(22-24(21-14)17-7-5-4-6-8-17)13-20-19(25)15-9-11-16(12-10-15)23(2)3/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyFEYPUAUJHBULIC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.57
Rot. Bonds5

About 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide

4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide (PubChem CID 2738918) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
PubChem CID2738918
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N5O/c1-14-18(22-24(21-14)17-7-5-4-6-8-17)13-20-19(25)15-9-11-16(12-10-15)23(2)3/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyFEYPUAUJHBULIC-UHFFFAOYSA-N
XLogP2.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide (CID 2738918) is 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide is Cc1nn(-c2ccccc2)nc1CNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The InChIKey is FEYPUAUJHBULIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-18(22-24(21-14)17-7-5-4-6-8-17)13-20-19(25)15-9-11-16(12-10-15)23(2)3/h4-12H,13H2,1-3H3,(H,20,25).
What are the key properties of 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 2738918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).