5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol

C14H13N5O2 — CID 168890099

IUPAC5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol
SMILESCn1ncc2c(N)nnc(-c3ccc4c(c3O)CCO4)c21
InChIInChI=1S/C14H13N5O2/c1-19-12-9(6-16-19)14(15)18-17-11(12)8-2-3-10-7(13(8)20)4-5-21-10/h2-3,6,20H,4-5H2,1H3,(H2,15,18)
InChIKeyZBRRMNAKKWXBNK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.25
Rot. Bonds1

About 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol

5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 168890099) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol
PubChem CID168890099
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol
SMILESCn1ncc2c(N)nnc(-c3ccc4c(c3O)CCO4)c21
InChIInChI=1S/C14H13N5O2/c1-19-12-9(6-16-19)14(15)18-17-11(12)8-2-3-10-7(13(8)20)4-5-21-10/h2-3,6,20H,4-5H2,1H3,(H2,15,18)
InChIKeyZBRRMNAKKWXBNK-UHFFFAOYSA-N
XLogP1.25
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol?
The IUPAC name of 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol (CID 168890099) is 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol.
What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol?
The canonical SMILES for 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol is Cn1ncc2c(N)nnc(-c3ccc4c(c3O)CCO4)c21.
What is the InChIKey of 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol?
The InChIKey is ZBRRMNAKKWXBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-19-12-9(6-16-19)14(15)18-17-11(12)8-2-3-10-7(13(8)20)4-5-21-10/h2-3,6,20H,4-5H2,1H3,(H2,15,18).
What are the key properties of 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol?
5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 283.29 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methylpyrazolo[4,5-d]pyridazin-7-yl)-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 168890099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).