(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone

C13H11N5O2 — CID 8006547

IUPAC(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn3c(N)nnc3c2)c1
InChIInChI=1S/C13H11N5O2/c1-7-2-3-10(19)9(4-7)12(20)8-5-11-16-17-13(14)18(11)15-6-8/h2-6,19H,1H3,(H2,14,17)
InChIKeyHJWXAYAGYOTQRR-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.95
Rot. Bonds2

About (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone

(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 8006547) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone
PubChem CID8006547
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnn3c(N)nnc3c2)c1
InChIInChI=1S/C13H11N5O2/c1-7-2-3-10(19)9(4-7)12(20)8-5-11-16-17-13(14)18(11)15-6-8/h2-6,19H,1H3,(H2,14,17)
InChIKeyHJWXAYAGYOTQRR-UHFFFAOYSA-N
XLogP0.95
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone (CID 8006547) is (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnn3c(N)nnc3c2)c1.
What is the InChIKey of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is HJWXAYAGYOTQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-7-2-3-10(19)9(4-7)12(20)8-5-11-16-17-13(14)18(11)15-6-8/h2-6,19H,1H3,(H2,14,17).
What are the key properties of (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone?
(3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 269.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 8006547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).