5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one

C15H23N3O — CID 166649920

IUPAC5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one
SMILESC=CN(c1cnn(CCC)c(=O)c1C(=C)C)C(C)C
InChIInChI=1S/C15H23N3O/c1-7-9-18-15(19)14(11(3)4)13(10-16-18)17(8-2)12(5)6/h8,10,12H,2-3,7,9H2,1,4-6H3
InChIKeyFQRCKGKORUXXIG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.04
Rot. Bonds6

About 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one

5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one (PubChem CID 166649920) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one
PubChem CID166649920
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one
SMILESC=CN(c1cnn(CCC)c(=O)c1C(=C)C)C(C)C
InChIInChI=1S/C15H23N3O/c1-7-9-18-15(19)14(11(3)4)13(10-16-18)17(8-2)12(5)6/h8,10,12H,2-3,7,9H2,1,4-6H3
InChIKeyFQRCKGKORUXXIG-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one?
The IUPAC name of 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one (CID 166649920) is 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one?
The canonical SMILES for 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one is C=CN(c1cnn(CCC)c(=O)c1C(=C)C)C(C)C.
What is the InChIKey of 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one?
The InChIKey is FQRCKGKORUXXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-7-9-18-15(19)14(11(3)4)13(10-16-18)17(8-2)12(5)6/h8,10,12H,2-3,7,9H2,1,4-6H3.
What are the key properties of 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one?
5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one has a molecular weight of 261.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethenyl(propan-2-yl)amino]-4-prop-1-en-2-yl-2-propylpyridazin-3-one is sourced from PubChem (CID 166649920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).