2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one

C13H19N5O — CID 103220314

IUPAC2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCc2cnn(C)c2)c(=O)c1
InChIInChI=1S/C13H19N5O/c1-3-5-14-12-7-13(19)18(16-9-12)6-4-11-8-15-17(2)10-11/h7-10,14H,3-6H2,1-2H3
InChIKeyFSPLCLRTMHSZHC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.04
Rot. Bonds6

About 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one

2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220314) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220314
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(CCc2cnn(C)c2)c(=O)c1
InChIInChI=1S/C13H19N5O/c1-3-5-14-12-7-13(19)18(16-9-12)6-4-11-8-15-17(2)10-11/h7-10,14H,3-6H2,1-2H3
InChIKeyFSPLCLRTMHSZHC-UHFFFAOYSA-N
XLogP1.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-(2-phenylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220259
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
2,2-dimethyl-6-[6-oxo-4-(propylamino)pyridazin-1-yl]hexanenitrile
CID 106714923
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220089
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533339
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
2-[(4-bromo-2-chlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220213
N-cyclopropyl-N-ethyl-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220253

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one (CID 103220314) is 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(CCc2cnn(C)c2)c(=O)c1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is FSPLCLRTMHSZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-5-14-12-7-13(19)18(16-9-12)6-4-11-8-15-17(2)10-11/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one?
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).