3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol

C15H13N5O2 — CID 156562292

IUPAC3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol
SMILESCn1cc(-c2c(N)nnc3c2COc2cccc(O)c2-3)cn1
InChIInChI=1S/C15H13N5O2/c1-20-6-8(5-17-20)12-9-7-22-11-4-2-3-10(21)13(11)14(9)18-19-15(12)16/h2-6,21H,7H2,1H3,(H2,16,19)
InChIKeyAYVSKYLEHRQJFX-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.72
Rot. Bonds1

About 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol

3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol (PubChem CID 156562292) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol.

Molecular Properties

Compound Name3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol
PubChem CID156562292
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol
SMILESCn1cc(-c2c(N)nnc3c2COc2cccc(O)c2-3)cn1
InChIInChI=1S/C15H13N5O2/c1-20-6-8(5-17-20)12-9-7-22-11-4-2-3-10(21)13(11)14(9)18-19-15(12)16/h2-6,21H,7H2,1H3,(H2,16,19)
InChIKeyAYVSKYLEHRQJFX-UHFFFAOYSA-N
XLogP1.72
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol?
The IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol (CID 156562292) is 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol.
What is the SMILES notation for 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol?
The canonical SMILES for 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol is Cn1cc(-c2c(N)nnc3c2COc2cccc(O)c2-3)cn1.
What is the InChIKey of 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol?
The InChIKey is AYVSKYLEHRQJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-6-8(5-17-20)12-9-7-22-11-4-2-3-10(21)13(11)14(9)18-19-15(12)16/h2-6,21H,7H2,1H3,(H2,16,19).
What are the key properties of 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol?
3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol has a molecular weight of 295.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol is sourced from PubChem (CID 156562292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).