5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one

C14H19N5O — CID 103219677

IUPAC5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1cc(Cn2ncc(NC3CC3)cc2=O)n(C)n1
InChIInChI=1S/C14H19N5O/c1-3-10-6-13(18(2)17-10)9-19-14(20)7-12(8-15-19)16-11-4-5-11/h6-8,11,16H,3-5,9H2,1-2H3
InChIKeyYDJOOLCUZSFLMP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.16
Rot. Bonds5

About 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one

5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one (PubChem CID 103219677) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
PubChem CID103219677
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
SMILESCCc1cc(Cn2ncc(NC3CC3)cc2=O)n(C)n1
InChIInChI=1S/C14H19N5O/c1-3-10-6-13(18(2)17-10)9-19-14(20)7-12(8-15-19)16-11-4-5-11/h6-8,11,16H,3-5,9H2,1-2H3
InChIKeyYDJOOLCUZSFLMP-UHFFFAOYSA-N
XLogP1.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one (CID 103219677) is 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one is CCc1cc(Cn2ncc(NC3CC3)cc2=O)n(C)n1.
What is the InChIKey of 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
The InChIKey is YDJOOLCUZSFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-10-6-13(18(2)17-10)9-19-14(20)7-12(8-15-19)16-11-4-5-11/h6-8,11,16H,3-5,9H2,1-2H3.
What are the key properties of 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one?
5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 273.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).