4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one

C14H15ClN4O — CID 164611031

IUPAC4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one
SMILESCn1ncc(Nc2ccc3c(c2)CNCC3)c(Cl)c1=O
InChIInChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3
InChIKeyVZQFJJGIJFKMFN-UHFFFAOYSA-N
MW290.75 g/mol
LogP1.82
Rot. Bonds2

About 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one

4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one (PubChem CID 164611031) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one
PubChem CID164611031
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one
SMILESCn1ncc(Nc2ccc3c(c2)CNCC3)c(Cl)c1=O
InChIInChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3
InChIKeyVZQFJJGIJFKMFN-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one (CID 164611031) is 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one is Cn1ncc(Nc2ccc3c(c2)CNCC3)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one?
The InChIKey is VZQFJJGIJFKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-19-14(20)13(15)12(8-17-19)18-11-3-2-9-4-5-16-7-10(9)6-11/h2-3,6,8,16,18H,4-5,7H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one has a molecular weight of 290.75 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridazin-3-one is sourced from PubChem (CID 164611031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).