3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol

C15H13N5O2 — CID 156562297

IUPAC3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol
SMILESCn1cc(-c2c(N)nnc3c2OCc2cccc(O)c2-3)cn1
InChIInChI=1S/C15H13N5O2/c1-20-6-9(5-17-20)12-14-13(18-19-15(12)16)11-8(7-22-14)3-2-4-10(11)21/h2-6,21H,7H2,1H3,(H2,16,19)
InChIKeyUZGHFZLIROLJTA-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.72
Rot. Bonds1

About 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol

3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol (PubChem CID 156562297) 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)-6H-isochromeno[4,3-c]pyridazin-10-ol.

Molecular Properties

Compound Name3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol
PubChem CID156562297
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol
SMILESCn1cc(-c2c(N)nnc3c2OCc2cccc(O)c2-3)cn1
InChIInChI=1S/C15H13N5O2/c1-20-6-9(5-17-20)12-14-13(18-19-15(12)16)11-8(7-22-14)3-2-4-10(11)21/h2-6,21H,7H2,1H3,(H2,16,19)
InChIKeyUZGHFZLIROLJTA-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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Related Compounds

2-[8-[(1R,2S,6R)-2-fluoro-6-(methylamino)cycloheptyl]-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 174091165
4-[2-[6-amino-5-(2-methylpyrazol-3-yl)pyridazin-3-yl]phenoxy]-2-[6-amino-5-[(1R)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137291745
2-(6-Amino-5-cyclohexyloxypyridazin-3-yl)-5-[3-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethyl]phenyl]phenol
CID 145145530
3-amino-4-(1-methylpyrazol-4-yl)-5H-chromeno[4,3-c]pyridazin-10-ol
CID 156562292
2-(8-Cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
CID 170041170
2-(8-Cyclohexyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
CID 170041188
5-(1-Methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]phenol
CID 170041198
5-(1-methylpyrazol-4-yl)-2-[8-(oxan-4-yl)-6H-pyrano[3,2-c]pyridazin-3-yl]phenol
CID 170041240
2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
CID 170041379
4-(5-Ethoxy-3-pyridinyl)phthalazin-1-amine
CID 81895812

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol?
The IUPAC name of 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol (CID 156562297) is 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol.
What is the SMILES notation for 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol?
The canonical SMILES for 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol is Cn1cc(-c2c(N)nnc3c2OCc2cccc(O)c2-3)cn1.
What is the InChIKey of 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol?
The InChIKey is UZGHFZLIROLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-20-6-9(5-17-20)12-14-13(18-19-15(12)16)11-8(7-22-14)3-2-4-10(11)21/h2-6,21H,7H2,1H3,(H2,16,19).
What are the key properties of 3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[4,3-c]pyridazin-10-ol?
3-amino-4-(1-methylpyrazol-4-yl)-6H-isochromeno[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)-6H-isochromeno[4,3-c]pyridazin-10-ol is sourced from PubChem (CID 156562297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).