4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one

C16H18ClN3O — CID 114436972

IUPAC4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCc3ccccc3C2)c(Cl)c1=O
InChIInChI=1S/C16H18ClN3O/c1-2-20-16(21)15(17)14(10-18-20)19-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,19H,2,7-9H2,1H3
InChIKeyHHDRVAWDXYIVPT-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.89
Rot. Bonds3

About 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one (PubChem CID 114436972) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
PubChem CID114436972
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCc3ccccc3C2)c(Cl)c1=O
InChIInChI=1S/C16H18ClN3O/c1-2-20-16(21)15(17)14(10-18-20)19-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,19H,2,7-9H2,1H3
InChIKeyHHDRVAWDXYIVPT-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one (CID 114436972) is 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one is CCn1ncc(NC2CCc3ccccc3C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one?
The InChIKey is HHDRVAWDXYIVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-20-16(21)15(17)14(10-18-20)19-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,19H,2,7-9H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one has a molecular weight of 303.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114436972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).