6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one

C15H21N3O2 — CID 126939029

IUPAC6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCC1CC1
InChIInChI=1S/C15H21N3O2/c19-15-6-5-12(11-3-4-11)17-18(15)14-9-20-8-13(14)16-7-10-1-2-10/h5-6,10-11,13-14,16H,1-4,7-9H2
InChIKeyYNFQSQFXQKZBNA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.06
Rot. Bonds5

About 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939029) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939029
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCC1CC1
InChIInChI=1S/C15H21N3O2/c19-15-6-5-12(11-3-4-11)17-18(15)14-9-20-8-13(14)16-7-10-1-2-10/h5-6,10-11,13-14,16H,1-4,7-9H2
InChIKeyYNFQSQFXQKZBNA-UHFFFAOYSA-N
XLogP1.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one (CID 126939029) is 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1NCC1CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is YNFQSQFXQKZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15-6-5-12(11-3-4-11)17-18(15)14-9-20-8-13(14)16-7-10-1-2-10/h5-6,10-11,13-14,16H,1-4,7-9H2.
What are the key properties of 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 275.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).