2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one

C15H16ClN3O — CID 103221743

IUPAC2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)10-19-15(20)7-13(9-18-19)17-8-11-5-6-11/h1-4,7,9,11,17H,5-6,8,10H2
InChIKeyUZIYEKNSVMHTPQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.77
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one

2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one (PubChem CID 103221743) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
PubChem CID103221743
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1Cc1ccccc1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)10-19-15(20)7-13(9-18-19)17-8-11-5-6-11/h1-4,7,9,11,17H,5-6,8,10H2
InChIKeyUZIYEKNSVMHTPQ-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 103221865
2-[(4-bromophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221923
4-[[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103221819
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221823
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
CID 166336869
5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103221824
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
N-cyclopropyl-2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221777
2-[(3-chloro-4-pyridinyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 103218866
5-(cyclobutylamino)-2-[(2,4-dichlorophenyl)methyl]pyridazin-3-one
CID 103220558

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one (CID 103221743) is 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
The InChIKey is UZIYEKNSVMHTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-4-2-1-3-12(14)10-19-15(20)7-13(9-18-19)17-8-11-5-6-11/h1-4,7,9,11,17H,5-6,8,10H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one?
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one has a molecular weight of 289.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one is sourced from PubChem (CID 103221743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).