5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one

C14H25N3OS — CID 114399063

IUPAC5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCC(C)CCS)c(=O)c1
InChIInChI=1S/C14H25N3OS/c1-4-16(5-2)13-10-14(18)17(15-11-13)8-6-12(3)7-9-19/h10-12,19H,4-9H2,1-3H3
InChIKeyRSVUEMDTXCLYKF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.44
Rot. Bonds8

About 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one

5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one (PubChem CID 114399063) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
PubChem CID114399063
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCC(C)CCS)c(=O)c1
InChIInChI=1S/C14H25N3OS/c1-4-16(5-2)13-10-14(18)17(15-11-13)8-6-12(3)7-9-19/h10-12,19H,4-9H2,1-3H3
InChIKeyRSVUEMDTXCLYKF-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
CID 114394356
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one (CID 114399063) is 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one is CCN(CC)c1cnn(CCC(C)CCS)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one?
The InChIKey is RSVUEMDTXCLYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-16(5-2)13-10-14(18)17(15-11-13)8-6-12(3)7-9-19/h10-12,19H,4-9H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one?
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one has a molecular weight of 283.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one is sourced from PubChem (CID 114399063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).