2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione

C10H17N3O2 — CID 61387018

IUPAC2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCC(C)NCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)11-6-3-7-13-10(15)5-4-9(14)12-13/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyJOBYHXVIPOUVCJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.08
Rot. Bonds5

About 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione

2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione (PubChem CID 61387018) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
PubChem CID61387018
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione
SMILESCC(C)NCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)11-6-3-7-13-10(15)5-4-9(14)12-13/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyJOBYHXVIPOUVCJ-UHFFFAOYSA-N
XLogP-0.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione (CID 61387018) is 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione is CC(C)NCCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione?
The InChIKey is JOBYHXVIPOUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)11-6-3-7-13-10(15)5-4-9(14)12-13/h4-5,8,11H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione?
2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione has a molecular weight of 211.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(propan-2-ylamino)propyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 61387018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).