1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione

C12H13N5O2 — CID 169265560

IUPAC1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N)cc21
InChIInChI=1S/C12H13N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5,13H2,1H3,(H,14,18,19)
InChIKeyWUIVJXLPFFXGRW-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.60
Rot. Bonds1

About 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione

1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 169265560) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID169265560
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N)cc21
InChIInChI=1S/C12H13N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5,13H2,1H3,(H,14,18,19)
InChIKeyWUIVJXLPFFXGRW-UHFFFAOYSA-N
XLogP0.60
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione (CID 169265560) is 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(N)cc21.
What is the InChIKey of 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is WUIVJXLPFFXGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-3,6H,4-5,13H2,1H3,(H,14,18,19).
What are the key properties of 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione?
1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 259.27 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1-methylindazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 169265560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).