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

C12H12Cl2N4O — CID 4270235

IUPAC1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-4-8(13)6-9(10)14/h4-6H,1-3H3
InChIKeyPZXCTOGKASGUGQ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.58
Rot. Bonds2

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

1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 4270235) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
PubChem CID4270235
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-4-8(13)6-9(10)14/h4-6H,1-3H3
InChIKeyPZXCTOGKASGUGQ-UHFFFAOYSA-N
XLogP2.58
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide (CID 4270235) is 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)C)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PZXCTOGKASGUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-4-8(13)6-9(10)14/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 4270235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).