1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide

C16H10ClF3N4O2 — CID 15944324

IUPAC1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10ClF3N4O2/c17-10-1-5-12(6-2-10)24-9-21-14(23-24)15(25)22-11-3-7-13(8-4-11)26-16(18,19)20/h1-9H,(H,22,25)
InChIKeyRRMSALWSJQSSCV-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.07
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 15944324) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID15944324
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC Name1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H10ClF3N4O2/c17-10-1-5-12(6-2-10)24-9-21-14(23-24)15(25)22-11-3-7-13(8-4-11)26-16(18,19)20/h1-9H,(H,22,25)
InChIKeyRRMSALWSJQSSCV-UHFFFAOYSA-N
XLogP4.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide (CID 15944324) is 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ncn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is RRMSALWSJQSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-10-1-5-12(6-2-10)24-9-21-14(23-24)15(25)22-11-3-7-13(8-4-11)26-16(18,19)20/h1-9H,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 382.73 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 15944324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).