2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol

C13H12N6O2 — CID 91895676

IUPAC2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3[nH]ncc23)ccc1O
InChIInChI=1S/C13H12N6O2/c1-21-11-4-8(2-3-10(11)20)5-16-18-12-9-6-17-19-13(9)15-7-14-12/h2-4,6-7,20H,5H2,1H3,(H,14,15,17,19)/b18-16+
InChIKeyKXRNOVBWVKIJFZ-FBMGVBCBSA-N
MW284.28 g/mol
LogP2.35
Rot. Bonds4

About 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol

2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol (PubChem CID 91895676) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol
PubChem CID91895676
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol
SMILESCOc1cc(C/N=N/c2ncnc3[nH]ncc23)ccc1O
InChIInChI=1S/C13H12N6O2/c1-21-11-4-8(2-3-10(11)20)5-16-18-12-9-6-17-19-13(9)15-7-14-12/h2-4,6-7,20H,5H2,1H3,(H,14,15,17,19)/b18-16+
InChIKeyKXRNOVBWVKIJFZ-FBMGVBCBSA-N
XLogP2.35
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol (CID 91895676) is 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol is COc1cc(C/N=N/c2ncnc3[nH]ncc23)ccc1O.
What is the InChIKey of 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol?
The InChIKey is KXRNOVBWVKIJFZ-FBMGVBCBSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-21-11-4-8(2-3-10(11)20)5-16-18-12-9-6-17-19-13(9)15-7-14-12/h2-4,6-7,20H,5H2,1H3,(H,14,15,17,19)/b18-16+.
What are the key properties of 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol?
2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol has a molecular weight of 284.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1H-pyrazolo[5,4-d]pyrimidin-4-yldiazenyl)methyl]phenol is sourced from PubChem (CID 91895676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).