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

C14H21N5O — CID 103220089

IUPAC2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2cc(CC)nn2C)c(=O)c1
InChIInChI=1S/C14H21N5O/c1-4-6-15-12-8-14(20)19(16-9-12)10-13-7-11(5-2)17-18(13)3/h7-9,15H,4-6,10H2,1-3H3
InChIKeyBDIOVSZORXREMJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.41
Rot. Bonds6

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

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one (PubChem CID 103220089) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
PubChem CID103220089
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2cc(CC)nn2C)c(=O)c1
InChIInChI=1S/C14H21N5O/c1-4-6-15-12-8-14(20)19(16-9-12)10-13-7-11(5-2)17-18(13)3/h7-9,15H,4-6,10H2,1-3H3
InChIKeyBDIOVSZORXREMJ-UHFFFAOYSA-N
XLogP1.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
5-(cyclopropylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103219677
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
2-[(2-methyltetrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 107067014
2-[(2,6-dimethylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220165
2-(3-hydroxy-3-methylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220306
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 116626760
2-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyridazin-3-one
CID 103220314
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
2-[(2,5-dichlorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220082
2-[(2-bromo-5-fluorophenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220063

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one (CID 103220089) is 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2cc(CC)nn2C)c(=O)c1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
The InChIKey is BDIOVSZORXREMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-6-15-12-8-14(20)19(16-9-12)10-13-7-11(5-2)17-18(13)3/h7-9,15H,4-6,10H2,1-3H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one?
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one has a molecular weight of 275.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).