4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one

C15H18ClN3O — CID 114431888

IUPAC4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(Nc1cnn(C(C)C)c(=O)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyPHAZQJZDHCYUJK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one

4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 114431888) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID114431888
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(Nc1cnn(C(C)C)c(=O)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyPHAZQJZDHCYUJK-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-phenylethylamino)-2-prop-2-enylpyridazin-3-one
CID 114431890
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699
4-chloro-5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-methylpyridazin-3-one
CID 51932024
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
5-[(1-amino-4-methylpentan-2-yl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114445270
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
CID 78805465
5-(4-aminoanilino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114444749
4-chloro-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-propan-2-ylpyridazin-3-one
CID 114438732
4,5-dichloro-2-[(1R)-1-phenylethyl]pyridazin-3-one
CID 67981962
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114438367
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one (CID 114431888) is 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one is CC(Nc1cnn(C(C)C)c(=O)c1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is PHAZQJZDHCYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)12-7-5-4-6-8-12/h4-11,18H,1-3H3.
What are the key properties of 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one?
4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 291.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-phenylethylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114431888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).