5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

C15H23N3O2 — CID 103221982

IUPAC5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(NCC3CC3)cc2=O)O1
InChIInChI=1S/C15H23N3O2/c1-15(2)6-5-13(20-15)10-18-14(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyHTRGTTNZPPHGPJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.02
Rot. Bonds5

About 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one

5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (PubChem CID 103221982) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
PubChem CID103221982
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
SMILESCC1(C)CCC(Cn2ncc(NCC3CC3)cc2=O)O1
InChIInChI=1S/C15H23N3O2/c1-15(2)6-5-13(20-15)10-18-14(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,13,16H,3-6,8,10H2,1-2H3
InChIKeyHTRGTTNZPPHGPJ-UHFFFAOYSA-N
XLogP2.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one (CID 103221982) is 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is CC1(C)CCC(Cn2ncc(NCC3CC3)cc2=O)O1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
The InChIKey is HTRGTTNZPPHGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2)6-5-13(20-15)10-18-14(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,13,16H,3-6,8,10H2,1-2H3.
What are the key properties of 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one?
5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).