1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione

C11H10N4O2 — CID 170639076

IUPAC1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2n[nH]c3ccccc23)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-9-5-6-15(11(17)12-9)10-7-3-1-2-4-8(7)13-14-10/h1-4H,5-6H2,(H,13,14)(H,12,16,17)
InChIKeyKJYFBXGDLVYKFV-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.01
Rot. Bonds1

About 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione

1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 170639076) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID170639076
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2n[nH]c3ccccc23)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-9-5-6-15(11(17)12-9)10-7-3-1-2-4-8(7)13-14-10/h1-4H,5-6H2,(H,13,14)(H,12,16,17)
InChIKeyKJYFBXGDLVYKFV-UHFFFAOYSA-N
XLogP1.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 6539527
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CID 10265187
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CID 6539555
CID 6539555
CID 22319483
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CID 23641602
CID 23641602
CID 44447902
CID 44447902
CID 44447903
CID 44447903
CID 44447906
CID 44447906
CID 59174010
CID 59174010
CID 121365342
CID 121365342

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione (CID 170639076) is 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2n[nH]c3ccccc23)C(=O)N1.
What is the InChIKey of 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is KJYFBXGDLVYKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-5-6-15(11(17)12-9)10-7-3-1-2-4-8(7)13-14-10/h1-4H,5-6H2,(H,13,14)(H,12,16,17).
What are the key properties of 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione?
1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 230.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170639076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).