2-(3-aminopropyl)-1H-pyridazine-3,6-dione

C7H11N3O2 — CID 16783899

IUPAC2-(3-aminopropyl)-1H-pyridazine-3,6-dione
SMILESNCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O2/c8-4-1-5-10-7(12)3-2-6(11)9-10/h2-3H,1,4-5,8H2,(H,9,11)
InChIKeyUBEWJDRLIPBDOX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.11
Rot. Bonds3

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

2-(3-aminopropyl)-1H-pyridazine-3,6-dione (PubChem CID 16783899) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(3-aminopropyl)-1H-pyridazine-3,6-dione
PubChem CID16783899
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(3-aminopropyl)-1H-pyridazine-3,6-dione
SMILESNCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H11N3O2/c8-4-1-5-10-7(12)3-2-6(11)9-10/h2-3H,1,4-5,8H2,(H,9,11)
InChIKeyUBEWJDRLIPBDOX-UHFFFAOYSA-N
XLogP-1.11
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(3-aminopropyl)-1H-pyridazine-3,6-dione (CID 16783899) is 2-(3-aminopropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(3-aminopropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(3-aminopropyl)-1H-pyridazine-3,6-dione is NCCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-1H-pyridazine-3,6-dione?
The InChIKey is UBEWJDRLIPBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-4-1-5-10-7(12)3-2-6(11)9-10/h2-3H,1,4-5,8H2,(H,9,11).
What are the key properties of 2-(3-aminopropyl)-1H-pyridazine-3,6-dione?
2-(3-aminopropyl)-1H-pyridazine-3,6-dione has a molecular weight of 169.18 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 16783899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).