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

C15H17ClN4O — CID 114446525

IUPAC4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one
SMILESCCn1ncc(Nc2cccc3c2CCNC3)c(Cl)c1=O
InChIInChI=1S/C15H17ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19-12-5-3-4-10-8-17-7-6-11(10)12/h3-5,9,17,19H,2,6-8H2,1H3
InChIKeyCPJMUXIBAKZESN-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.31
Rot. Bonds3

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

4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one (PubChem CID 114446525) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one
PubChem CID114446525
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one
SMILESCCn1ncc(Nc2cccc3c2CCNC3)c(Cl)c1=O
InChIInChI=1S/C15H17ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19-12-5-3-4-10-8-17-7-6-11(10)12/h3-5,9,17,19H,2,6-8H2,1H3
InChIKeyCPJMUXIBAKZESN-UHFFFAOYSA-N
XLogP2.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one (CID 114446525) is 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one is CCn1ncc(Nc2cccc3c2CCNC3)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one?
The InChIKey is CPJMUXIBAKZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-20-15(21)14(16)13(9-18-20)19-12-5-3-4-10-8-17-7-6-11(10)12/h3-5,9,17,19H,2,6-8H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one has a molecular weight of 304.78 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one is sourced from PubChem (CID 114446525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).