5-(2-aminoethoxy)-2-propylpyridazin-3-one

C9H15N3O2 — CID 103222684

IUPAC5-(2-aminoethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-12-9(13)6-8(7-11-12)14-5-3-10/h6-7H,2-5,10H2,1H3
InChIKeyDNTCTQCJIDWCOM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.01
Rot. Bonds5

About 5-(2-aminoethoxy)-2-propylpyridazin-3-one

5-(2-aminoethoxy)-2-propylpyridazin-3-one (PubChem CID 103222684) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-propylpyridazin-3-one
PubChem CID103222684
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(2-aminoethoxy)-2-propylpyridazin-3-one
SMILESCCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C9H15N3O2/c1-2-4-12-9(13)6-8(7-11-12)14-5-3-10/h6-7H,2-5,10H2,1H3
InChIKeyDNTCTQCJIDWCOM-UHFFFAOYSA-N
XLogP-0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-propylpyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-propylpyridazin-3-one (CID 103222684) is 5-(2-aminoethoxy)-2-propylpyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-propylpyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-propylpyridazin-3-one is CCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethoxy)-2-propylpyridazin-3-one?
The InChIKey is DNTCTQCJIDWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-12-9(13)6-8(7-11-12)14-5-3-10/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-propylpyridazin-3-one?
5-(2-aminoethoxy)-2-propylpyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-propylpyridazin-3-one is sourced from PubChem (CID 103222684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).