6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one

C10H13N3O3 — CID 62916418

IUPAC6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(O)C2)ccc1=O
InChIInChI=1S/C10H13N3O3/c1-12-9(15)3-2-8(11-12)10(16)13-5-4-7(14)6-13/h2-3,7,14H,4-6H2,1H3
InChIKeyJXOAUIJYINGLPP-UHFFFAOYSA-N
MW223.23 g/mol
LogP-1.01
Rot. Bonds1

About 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one

6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 62916418) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID62916418
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(O)C2)ccc1=O
InChIInChI=1S/C10H13N3O3/c1-12-9(15)3-2-8(11-12)10(16)13-5-4-7(14)6-13/h2-3,7,14H,4-6H2,1H3
InChIKeyJXOAUIJYINGLPP-UHFFFAOYSA-N
XLogP-1.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one (CID 62916418) is 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(O)C2)ccc1=O.
What is the InChIKey of 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is JXOAUIJYINGLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-9(15)3-2-8(11-12)10(16)13-5-4-7(14)6-13/h2-3,7,14H,4-6H2,1H3.
What are the key properties of 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 223.23 g/mol, XLogP of -1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 62916418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).