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

C17H15Cl2N5O2 — CID 75468210

IUPAC1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C)nc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H15Cl2N5O2/c1-9-7-8-13(26-3)15(20-9)22-17(25)16-21-10(2)24(23-16)14-11(18)5-4-6-12(14)19/h4-8H,1-3H3,(H,20,22,25)
InChIKeyOYQGMKDKFDJWCI-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.85
Rot. Bonds4

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

1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 75468210) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID75468210
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C)nc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H15Cl2N5O2/c1-9-7-8-13(26-3)15(20-9)22-17(25)16-21-10(2)24(23-16)14-11(18)5-4-6-12(14)19/h4-8H,1-3H3,(H,20,22,25)
InChIKeyOYQGMKDKFDJWCI-UHFFFAOYSA-N
XLogP3.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.85
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)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 75468210) is 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide is COc1ccc(C)nc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OYQGMKDKFDJWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-9-7-8-13(26-3)15(20-9)22-17(25)16-21-10(2)24(23-16)14-11(18)5-4-6-12(14)19/h4-8H,1-3H3,(H,20,22,25).
What are the key properties of 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 75468210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).