1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide

C17H15Cl2N5O2 — CID 75480179

IUPAC1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ncccc2OC)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O2/c1-3-13-21-16(17(25)22-15-12(26-2)8-5-9-20-15)23-24(13)14-10(18)6-4-7-11(14)19/h4-9H,3H2,1-2H3,(H,20,22,25)
InChIKeyPZIPDRBTNZKSHK-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.79
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide

1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 75480179) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID75480179
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2ncccc2OC)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O2/c1-3-13-21-16(17(25)22-15-12(26-2)8-5-9-20-15)23-24(13)14-10(18)6-4-7-11(14)19/h4-9H,3H2,1-2H3,(H,20,22,25)
InChIKeyPZIPDRBTNZKSHK-UHFFFAOYSA-N
XLogP3.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 75480179) is 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2ncccc2OC)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is PZIPDRBTNZKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-3-13-21-16(17(25)22-15-12(26-2)8-5-9-20-15)23-24(13)14-10(18)6-4-7-11(14)19/h4-9H,3H2,1-2H3,(H,20,22,25).
What are the key properties of 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-ethyl-N-(3-methoxy-2-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75480179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).