5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one

C19H19N3OS — CID 1484437

IUPAC5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one
SMILESCNc1cnn(-c2ccc(C)cc2)c(=O)c1Sc1ccc(C)cc1
InChIInChI=1S/C19H19N3OS/c1-13-4-8-15(9-5-13)22-19(23)18(17(20-3)12-21-22)24-16-10-6-14(2)7-11-16/h4-12,20H,1-3H3
InChIKeyDQHPAYGRKMXPED-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.04
Rot. Bonds4

About 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one

5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one (PubChem CID 1484437) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one
PubChem CID1484437
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one
SMILESCNc1cnn(-c2ccc(C)cc2)c(=O)c1Sc1ccc(C)cc1
InChIInChI=1S/C19H19N3OS/c1-13-4-8-15(9-5-13)22-19(23)18(17(20-3)12-21-22)24-16-10-6-14(2)7-11-16/h4-12,20H,1-3H3
InChIKeyDQHPAYGRKMXPED-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one (CID 1484437) is 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one is CNc1cnn(-c2ccc(C)cc2)c(=O)c1Sc1ccc(C)cc1.
What is the InChIKey of 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one?
The InChIKey is DQHPAYGRKMXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-4-8-15(9-5-13)22-19(23)18(17(20-3)12-21-22)24-16-10-6-14(2)7-11-16/h4-12,20H,1-3H3.
What are the key properties of 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one?
5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one has a molecular weight of 337.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyridazin-3-one is sourced from PubChem (CID 1484437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).