1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C16H10Cl2F2N4O — CID 1473956

IUPAC1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(F)c2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F2N4O/c1-8-21-15(16(25)22-10-3-5-12(19)13(20)7-10)23-24(8)14-6-9(17)2-4-11(14)18/h2-7H,1H3,(H,22,25)
InChIKeyALAUPHYIOXUCOL-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.41
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 1473956) has the molecular formula C16H10Cl2F2N4O and a molecular weight of 383.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID1473956
Molecular FormulaC16H10Cl2F2N4O
Molecular Weight383.19 g/mol
Exact Mass382.02
IUPAC Name1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(F)c2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H10Cl2F2N4O/c1-8-21-15(16(25)22-10-3-5-12(19)13(20)7-10)23-24(8)14-6-9(17)2-4-11(14)18/h2-7H,1H3,(H,22,25)
InChIKeyALAUPHYIOXUCOL-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 1473956) is 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(F)c2)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ALAUPHYIOXUCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N4O/c1-8-21-15(16(25)22-10-3-5-12(19)13(20)7-10)23-24(8)14-6-9(17)2-4-11(14)18/h2-7H,1H3,(H,22,25).
What are the key properties of 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 383.19 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-(3,4-difluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1473956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).