1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole

C19H14F4N6 — CID 58704813

IUPAC1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
SMILESCC(C)(c1ncn(-c2ccc(F)cc2F)n1)c1ncn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14F4N6/c1-19(2,17-24-9-28(26-17)15-5-3-11(20)7-13(15)22)18-25-10-29(27-18)16-6-4-12(21)8-14(16)23/h3-10H,1-2H3
InChIKeyAAZHPWZNDPILOG-UHFFFAOYSA-N
MW402.36 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole

1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole (PubChem CID 58704813) has the molecular formula C19H14F4N6 and a molecular weight of 402.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
PubChem CID58704813
Molecular FormulaC19H14F4N6
Molecular Weight402.36 g/mol
Exact Mass402.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole
SMILESCC(C)(c1ncn(-c2ccc(F)cc2F)n1)c1ncn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14F4N6/c1-19(2,17-24-9-28(26-17)15-5-3-11(20)7-13(15)22)18-25-10-29(27-18)16-6-4-12(21)8-14(16)23/h3-10H,1-2H3
InChIKeyAAZHPWZNDPILOG-UHFFFAOYSA-N
XLogP3.73
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole (CID 58704813) is 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole is CC(C)(c1ncn(-c2ccc(F)cc2F)n1)c1ncn(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole?
The InChIKey is AAZHPWZNDPILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N6/c1-19(2,17-24-9-28(26-17)15-5-3-11(20)7-13(15)22)18-25-10-29(27-18)16-6-4-12(21)8-14(16)23/h3-10H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole?
1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole has a molecular weight of 402.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[1-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]propan-2-yl]-1,2,4-triazole is sourced from PubChem (CID 58704813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).