8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol

C20H15N7O — CID 135987478

IUPAC8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
SMILESOc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N7O/c28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h1-11,28H,12H2,(H,21,22)
InChIKeyGUPGQXUZHHSWJB-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.05
Rot. Bonds4

About 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol

8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol (PubChem CID 135987478) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol.

Molecular Properties

Compound Name8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
PubChem CID135987478
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
SMILESOc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N7O/c28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h1-11,28H,12H2,(H,21,22)
InChIKeyGUPGQXUZHHSWJB-UHFFFAOYSA-N
XLogP3.05
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The IUPAC name of 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol (CID 135987478) is 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol.
What is the SMILES notation for 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The canonical SMILES for 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol is Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The InChIKey is GUPGQXUZHHSWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h1-11,28H,12H2,(H,21,22).
What are the key properties of 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol has a molecular weight of 369.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol is sourced from PubChem (CID 135987478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).