1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

C15H15F3N4O2 — CID 170027687

IUPAC1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1ccc2c(c1)c(N1CCC(=O)NC1=O)nn2C(C)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-8-3-4-11-10(7-8)13(20-22(11)9(2)15(16,17)18)21-6-5-12(23)19-14(21)24/h3-4,7,9H,5-6H2,1-2H3,(H,19,23,24)
InChIKeyCGLUZBVHPVPRHA-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.91
Rot. Bonds2

About 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170027687) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170027687
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1ccc2c(c1)c(N1CCC(=O)NC1=O)nn2C(C)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-8-3-4-11-10(7-8)13(20-22(11)9(2)15(16,17)18)21-6-5-12(23)19-14(21)24/h3-4,7,9H,5-6H2,1-2H3,(H,19,23,24)
InChIKeyCGLUZBVHPVPRHA-UHFFFAOYSA-N
XLogP2.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 170027687) is 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is Cc1ccc2c(c1)c(N1CCC(=O)NC1=O)nn2C(C)C(F)(F)F.
What is the InChIKey of 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CGLUZBVHPVPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8-3-4-11-10(7-8)13(20-22(11)9(2)15(16,17)18)21-6-5-12(23)19-14(21)24/h3-4,7,9H,5-6H2,1-2H3,(H,19,23,24).
What are the key properties of 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 340.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170027687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).