2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione

C8H13N3O2 — CID 43367717

IUPAC2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione
SMILESCC(CN)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-6(4-9)5-11-8(13)3-2-7(12)10-11/h2-3,6H,4-5,9H2,1H3,(H,10,12)
InChIKeyPOLRVGRTFNOBEE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.87
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione

2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione (PubChem CID 43367717) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione
PubChem CID43367717
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione
SMILESCC(CN)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H13N3O2/c1-6(4-9)5-11-8(13)3-2-7(12)10-11/h2-3,6H,4-5,9H2,1H3,(H,10,12)
InChIKeyPOLRVGRTFNOBEE-UHFFFAOYSA-N
XLogP-0.87
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione (CID 43367717) is 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione is CC(CN)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione?
The InChIKey is POLRVGRTFNOBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(4-9)5-11-8(13)3-2-7(12)10-11/h2-3,6H,4-5,9H2,1H3,(H,10,12).
What are the key properties of 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione?
2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione has a molecular weight of 183.21 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43367717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).