2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one

C16H15N7O — CID 176503642

IUPAC2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one
SMILESCc1cc(NCCn2ncc3ccccc3c2=O)c2nncn2n1
InChIInChI=1S/C16H15N7O/c1-11-8-14(15-20-18-10-23(15)21-11)17-6-7-22-16(24)13-5-3-2-4-12(13)9-19-22/h2-5,8-10,17H,6-7H2,1H3
InChIKeyQKCYENBXFKKWRY-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one

2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one (PubChem CID 176503642) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one
PubChem CID176503642
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one
SMILESCc1cc(NCCn2ncc3ccccc3c2=O)c2nncn2n1
InChIInChI=1S/C16H15N7O/c1-11-8-14(15-20-18-10-23(15)21-11)17-6-7-22-16(24)13-5-3-2-4-12(13)9-19-22/h2-5,8-10,17H,6-7H2,1H3
InChIKeyQKCYENBXFKKWRY-UHFFFAOYSA-N
XLogP1.25
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one (CID 176503642) is 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one is Cc1cc(NCCn2ncc3ccccc3c2=O)c2nncn2n1.
What is the InChIKey of 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one?
The InChIKey is QKCYENBXFKKWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-11-8-14(15-20-18-10-23(15)21-11)17-6-7-22-16(24)13-5-3-2-4-12(13)9-19-22/h2-5,8-10,17H,6-7H2,1H3.
What are the key properties of 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one?
2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one has a molecular weight of 321.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one is sourced from PubChem (CID 176503642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).