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

C7H11N3O2 — CID 103218365

IUPAC5-amino-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1ncc(N)cc1=O
InChIInChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4,8H2,1H3
InChIKeyKYHLTSYQVFCNHJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds2

About 5-amino-2-(2-hydroxypropyl)pyridazin-3-one

5-amino-2-(2-hydroxypropyl)pyridazin-3-one (PubChem CID 103218365) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-hydroxypropyl)pyridazin-3-one
PubChem CID103218365
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-2-(2-hydroxypropyl)pyridazin-3-one
SMILESCC(O)Cn1ncc(N)cc1=O
InChIInChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4,8H2,1H3
InChIKeyKYHLTSYQVFCNHJ-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyridazin-6-one
CID 105649468
4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyridazin-6-one
CID 105649469
5-(Dimethylamino)-2-(3-fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165601120
5-Amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate
CID 21449749
5-Amino-2-(2-hydroxyethyl)pyridazin-3-one
CID 21449750
4-[bis(2-hydroxyethyl)amino]-1H-pyridazin-6-one
CID 23448466
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137
5-Amino-2-(3-methoxypropyl)pyridazin-3-one
CID 103218207
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103218289
5-Amino-2-(2,3-dihydroxypropyl)pyridazin-3-one
CID 103218304

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-hydroxypropyl)pyridazin-3-one (CID 103218365) is 5-amino-2-(2-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-hydroxypropyl)pyridazin-3-one is CC(O)Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-hydroxypropyl)pyridazin-3-one?
The InChIKey is KYHLTSYQVFCNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(11)4-10-7(12)2-6(8)3-9-10/h2-3,5,11H,4,8H2,1H3.
What are the key properties of 5-amino-2-(2-hydroxypropyl)pyridazin-3-one?
5-amino-2-(2-hydroxypropyl)pyridazin-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103218365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).