1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

C15H16N4O3 — CID 170024201

IUPAC1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1cccc2c(N3CCC(=O)NC3=O)nn(C3COC3)c12
InChIInChI=1S/C15H16N4O3/c1-9-3-2-4-11-13(9)19(10-7-22-8-10)17-14(11)18-6-5-12(20)16-15(18)21/h2-4,10H,5-8H2,1H3,(H,16,20,21)
InChIKeyYSYKFZLJNMJWCF-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.36
Rot. Bonds2

About 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione

1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170024201) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID170024201
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1cccc2c(N3CCC(=O)NC3=O)nn(C3COC3)c12
InChIInChI=1S/C15H16N4O3/c1-9-3-2-4-11-13(9)19(10-7-22-8-10)17-14(11)18-6-5-12(20)16-15(18)21/h2-4,10H,5-8H2,1H3,(H,16,20,21)
InChIKeyYSYKFZLJNMJWCF-UHFFFAOYSA-N
XLogP1.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 170024201) is 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is Cc1cccc2c(N3CCC(=O)NC3=O)nn(C3COC3)c12.
What is the InChIKey of 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is YSYKFZLJNMJWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-3-2-4-11-13(9)19(10-7-22-8-10)17-14(11)18-6-5-12(20)16-15(18)21/h2-4,10H,5-8H2,1H3,(H,16,20,21).
What are the key properties of 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170024201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).