3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide

C14H19N5O — CID 51081221

IUPAC3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCn1cnnc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O/c1-4-19-10-16-17-13(19)9-15-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,20)
InChIKeyDPIOJFRDQYEMJB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds5

About 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide

3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 51081221) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID51081221
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCCn1cnnc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O/c1-4-19-10-16-17-13(19)9-15-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,20)
InChIKeyDPIOJFRDQYEMJB-UHFFFAOYSA-N
XLogP1.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 51081221) is 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide is CCn1cnnc1CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is DPIOJFRDQYEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-19-10-16-17-13(19)9-15-14(20)11-6-5-7-12(8-11)18(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,20).
What are the key properties of 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide?
3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 51081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).