6-amino-2-(3-hydroxypropyl)pyridazin-3-one

C7H11N3O2 — CID 116788210

IUPAC6-amino-2-(3-hydroxypropyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCCO)n1
InChIInChI=1S/C7H11N3O2/c8-6-2-3-7(12)10(9-6)4-1-5-11/h2-3,11H,1,4-5H2,(H2,8,9)
InChIKeyKLWGBFYDHYKYHW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds3

About 6-amino-2-(3-hydroxypropyl)pyridazin-3-one

6-amino-2-(3-hydroxypropyl)pyridazin-3-one (PubChem CID 116788210) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-amino-2-(3-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-amino-2-(3-hydroxypropyl)pyridazin-3-one
PubChem CID116788210
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name6-amino-2-(3-hydroxypropyl)pyridazin-3-one
SMILESNc1ccc(=O)n(CCCO)n1
InChIInChI=1S/C7H11N3O2/c8-6-2-3-7(12)10(9-6)4-1-5-11/h2-3,11H,1,4-5H2,(H2,8,9)
InChIKeyKLWGBFYDHYKYHW-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 114526571
2-(3-amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
6-amino-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 116788217
6-amino-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 116788167
6-amino-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106729463
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707
6-amino-2-[(1-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 116788287
2-(3-amino-6-oxopyridazin-1-yl)-N,N-diethylacetamide
CID 116788262
6-amino-2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 116788391
6-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pyridazin-3-one
CID 114166631
6-amino-2-(2-methylpentyl)pyridazin-3-one
CID 116788206

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 6-amino-2-(3-hydroxypropyl)pyridazin-3-one (CID 116788210) is 6-amino-2-(3-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 6-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 6-amino-2-(3-hydroxypropyl)pyridazin-3-one is Nc1ccc(=O)n(CCCO)n1.
What is the InChIKey of 6-amino-2-(3-hydroxypropyl)pyridazin-3-one?
The InChIKey is KLWGBFYDHYKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6-2-3-7(12)10(9-6)4-1-5-11/h2-3,11H,1,4-5H2,(H2,8,9).
What are the key properties of 6-amino-2-(3-hydroxypropyl)pyridazin-3-one?
6-amino-2-(3-hydroxypropyl)pyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 116788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).