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

C12H12Cl2N4O — CID 1473980

IUPAC1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-8(13)4-9(14)6-10/h4-6H,1-3H3
InChIKeyGGKSONINCCSARN-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.58
Rot. Bonds2

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

1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide (PubChem CID 1473980) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
PubChem CID1473980
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-8(13)4-9(14)6-10/h4-6H,1-3H3
InChIKeyGGKSONINCCSARN-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-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide (CID 1473980) is 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)C)nn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GGKSONINCCSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-7-15-11(12(19)17(2)3)16-18(7)10-5-8(13)4-9(14)6-10/h4-6H,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide?
1-(3,5-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-(3,5-dichlorophenyl)-N,N,5-trimethyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 1473980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).