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

C11H10Cl2N4O — CID 1473979

IUPAC1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O/c1-6-15-10(11(18)14-2)16-17(6)9-4-7(12)3-8(13)5-9/h3-5H,1-2H3,(H,14,18)
InChIKeyIEPNMYCWMADKIL-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.24
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 1473979) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
PubChem CID1473979
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide
SMILESCNC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N4O/c1-6-15-10(11(18)14-2)16-17(6)9-4-7(12)3-8(13)5-9/h3-5H,1-2H3,(H,14,18)
InChIKeyIEPNMYCWMADKIL-UHFFFAOYSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide (CID 1473979) is 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is CNC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IEPNMYCWMADKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-6-15-10(11(18)14-2)16-17(6)9-4-7(12)3-8(13)5-9/h3-5H,1-2H3,(H,14,18).
What are the key properties of 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide?
1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N,5-dimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1473979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).