2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one

C10H17N3O3 — CID 103219461

IUPAC2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-7(2)12-8-3-10(16)13(11-4-8)5-9(15)6-14/h3-4,7,9,12,14-15H,5-6H2,1-2H3
InChIKeyJYCKRDOPCYKUEC-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.58
Rot. Bonds5

About 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219461) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219461
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-7(2)12-8-3-10(16)13(11-4-8)5-9(15)6-14/h3-4,7,9,12,14-15H,5-6H2,1-2H3
InChIKeyJYCKRDOPCYKUEC-UHFFFAOYSA-N
XLogP-0.58
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219461) is 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CC(O)CO)c(=O)c1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is JYCKRDOPCYKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)12-8-3-10(16)13(11-4-8)5-9(15)6-14/h3-4,7,9,12,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).