5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one

C15H16N6O2 — CID 58936284

IUPAC5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C15H16N6O2/c22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyIKUIXXNICHZLHG-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.03
Rot. Bonds3

About 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one

5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one (PubChem CID 58936284) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
PubChem CID58936284
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C15H16N6O2/c22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22)
InChIKeyIKUIXXNICHZLHG-UHFFFAOYSA-N
XLogP1.03
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one (CID 58936284) is 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc(C3COCC(Nc4nccnn4)C3)cc12.
What is the InChIKey of 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
The InChIKey is IKUIXXNICHZLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-14-12-6-9(1-2-13(12)19-20-14)10-5-11(8-23-7-10)18-15-16-3-4-17-21-15/h1-4,6,10-11H,5,7-8H2,(H,16,18,21)(H2,19,20,22).
What are the key properties of 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one?
5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one has a molecular weight of 312.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,2,4-triazin-3-ylamino)oxan-3-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).