N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C17H11F2N5O — CID 162444830

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C17H11F2N5O/c18-12-6-11-14(7-13(12)19)20-8-15(11)22-17(25)16-21-9-24(23-16)10-4-2-1-3-5-10/h1-9,20H,(H,22,25)
InChIKeyKEGIPYOXTWPFKC-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.28
Rot. Bonds3

About N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 162444830) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID162444830
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C17H11F2N5O/c18-12-6-11-14(7-13(12)19)20-8-15(11)22-17(25)16-21-9-24(23-16)10-4-2-1-3-5-10/h1-9,20H,(H,22,25)
InChIKeyKEGIPYOXTWPFKC-UHFFFAOYSA-N
XLogP3.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 162444830) is N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is KEGIPYOXTWPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-12-6-11-14(7-13(12)19)20-8-15(11)22-17(25)16-21-9-24(23-16)10-4-2-1-3-5-10/h1-9,20H,(H,22,25).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162444830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).