1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide

C17H14Cl2N4O3 — CID 59363114

IUPAC1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(COc2c(Cl)cc(-n3cnc(C(N)=O)n3)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N4O3/c1-25-12-4-2-10(3-5-12)8-26-15-13(18)6-11(7-14(15)19)23-9-21-17(22-23)16(20)24/h2-7,9H,8H2,1H3,(H2,20,24)
InChIKeyBUJTZAQIWHGLLV-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.26
Rot. Bonds6

About 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide

1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 59363114) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID59363114
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(COc2c(Cl)cc(-n3cnc(C(N)=O)n3)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N4O3/c1-25-12-4-2-10(3-5-12)8-26-15-13(18)6-11(7-14(15)19)23-9-21-17(22-23)16(20)24/h2-7,9H,8H2,1H3,(H2,20,24)
InChIKeyBUJTZAQIWHGLLV-UHFFFAOYSA-N
XLogP3.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide (CID 59363114) is 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide is COc1ccc(COc2c(Cl)cc(-n3cnc(C(N)=O)n3)cc2Cl)cc1.
What is the InChIKey of 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is BUJTZAQIWHGLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c1-25-12-4-2-10(3-5-12)8-26-15-13(18)6-11(7-14(15)19)23-9-21-17(22-23)16(20)24/h2-7,9H,8H2,1H3,(H2,20,24).
What are the key properties of 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide?
1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[(4-methoxyphenyl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59363114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).