1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide

C19H19ClN4O2 — CID 24546553

IUPAC1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CCOc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-14-21-18(22-24(14)16-10-8-15(20)9-11-16)19(25)23(2)12-13-26-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3
InChIKeyIGRALIWSKZHWMA-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 24546553) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
PubChem CID24546553
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CCOc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c1-14-21-18(22-24(14)16-10-8-15(20)9-11-16)19(25)23(2)12-13-26-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3
InChIKeyIGRALIWSKZHWMA-UHFFFAOYSA-N
XLogP3.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide (CID 24546553) is 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)CCOc2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IGRALIWSKZHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-14-21-18(22-24(14)16-10-8-15(20)9-11-16)19(25)23(2)12-13-26-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).