3,5-diphenyl-1H-1,2,4-triazole;2H-triazole

C16H14N6 — CID 175519989

IUPAC3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1.c1cn[nH]n1
InChIInChI=1S/C14H11N3.C2H3N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H,(H,15,16,17);1-2H,(H,3,4,5)
InChIKeyRSMHFECNLHQVNE-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.94
Rot. Bonds2

About 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole

3,5-diphenyl-1H-1,2,4-triazole;2H-triazole (PubChem CID 175519989) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
PubChem CID175519989
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1.c1cn[nH]n1
InChIInChI=1S/C14H11N3.C2H3N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H,(H,15,16,17);1-2H,(H,3,4,5)
InChIKeyRSMHFECNLHQVNE-UHFFFAOYSA-N
XLogP2.94
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole (CID 175519989) is 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole is c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1.c1cn[nH]n1.
What is the InChIKey of 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole?
The InChIKey is RSMHFECNLHQVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3.C2H3N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H,(H,15,16,17);1-2H,(H,3,4,5).
What are the key properties of 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole?
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole has a molecular weight of 290.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 175519989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).