4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one

C14H17ClN4O — CID 123636541

IUPAC4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one
SMILESCCC(C)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C14H17ClN4O/c1-4-9(2)10-5-6-13(16-8-10)17-11-7-12(15)18-19(3)14(11)20/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyOSCKGFIAOZDTEB-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.09
Rot. Bonds4

About 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one

4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one (PubChem CID 123636541) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one
PubChem CID123636541
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one
SMILESCCC(C)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1
InChIInChI=1S/C14H17ClN4O/c1-4-9(2)10-5-6-13(16-8-10)17-11-7-12(15)18-19(3)14(11)20/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyOSCKGFIAOZDTEB-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one?
The IUPAC name of 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one (CID 123636541) is 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one is CCC(C)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1.
What is the InChIKey of 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one?
The InChIKey is OSCKGFIAOZDTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-9(2)10-5-6-13(16-8-10)17-11-7-12(15)18-19(3)14(11)20/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one?
4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-butan-2-yl-2-pyridinyl)amino]-6-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 123636541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).