5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

C15H17F3N8 — CID 154874018

IUPAC5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3nc(-c4ncn[nH]4)nn3C(C)C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N8/c1-7-3-4-10-9(5-7)11(23-22-10)14-21-13(12-19-6-20-24-12)25-26(14)8(2)15(16,17)18/h6-8H,3-5H2,1-2H3,(H,22,23)(H,19,20,24)
InChIKeyHYQUAKYWPSNQNC-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.70
Rot. Bonds3

About 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 154874018) has the molecular formula C15H17F3N8 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID154874018
Molecular FormulaC15H17F3N8
Molecular Weight366.35 g/mol
Exact Mass366.15
IUPAC Name5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCC1CCc2[nH]nc(-c3nc(-c4ncn[nH]4)nn3C(C)C(F)(F)F)c2C1
InChIInChI=1S/C15H17F3N8/c1-7-3-4-10-9(5-7)11(23-22-10)14-21-13(12-19-6-20-24-12)25-26(14)8(2)15(16,17)18/h6-8H,3-5H2,1-2H3,(H,22,23)(H,19,20,24)
InChIKeyHYQUAKYWPSNQNC-UHFFFAOYSA-N
XLogP2.70
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 154874018) is 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is CC1CCc2[nH]nc(-c3nc(-c4ncn[nH]4)nn3C(C)C(F)(F)F)c2C1.
What is the InChIKey of 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is HYQUAKYWPSNQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N8/c1-7-3-4-10-9(5-7)11(23-22-10)14-21-13(12-19-6-20-24-12)25-26(14)8(2)15(16,17)18/h6-8H,3-5H2,1-2H3,(H,22,23)(H,19,20,24).
What are the key properties of 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 366.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-2-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 154874018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).