2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one

C14H21N3O — CID 103221852

IUPAC2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14-7-13(15-8-11-5-6-11)9-16-17(14)10-12-3-1-2-4-12/h7,9,11-12,15H,1-6,8,10H2
InChIKeyJJEMZSHUUBSUHT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds5

About 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one

2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one (PubChem CID 103221852) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one
PubChem CID103221852
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CC1CCCC1
InChIInChI=1S/C14H21N3O/c18-14-7-13(15-8-11-5-6-11)9-16-17(14)10-12-3-1-2-4-12/h7,9,11-12,15H,1-6,8,10H2
InChIKeyJJEMZSHUUBSUHT-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3-fluorobutyl)-6-oxopyridazin-4-yl]-2-cyclopentylacetamide
CID 144993342
2-[(3,3-Difluorocyclohexyl)methyl]-5-(methylamino)pyridazin-3-one
CID 114226080
2-[(3,3-Difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 114226081
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
5-Amino-2-(cyclohexylmethyl)pyridazin-3-one
CID 103218173
5-Amino-2-(cyclopentylmethyl)pyridazin-3-one
CID 103218285
5-Amino-2-(2-ethylbutyl)pyridazin-3-one
CID 103218305
5-Amino-2-(4-methylpentyl)pyridazin-3-one
CID 103218377
5-Amino-2-(2-methylpentyl)pyridazin-3-one
CID 103218396
5-Amino-2-(2-ethylhexyl)pyridazin-3-one
CID 103218427
2-Heptyl-5-(methylamino)pyridazin-3-one
CID 103218448
2-Hexyl-5-(methylamino)pyridazin-3-one
CID 103218449

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one (CID 103221852) is 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one?
The InChIKey is JJEMZSHUUBSUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-7-13(15-8-11-5-6-11)9-16-17(14)10-12-3-1-2-4-12/h7,9,11-12,15H,1-6,8,10H2.
What are the key properties of 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one?
2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-(cyclopropylmethylamino)pyridazin-3-one is sourced from PubChem (CID 103221852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).