4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one

C12H11N5O2 — CID 136979897

IUPAC4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2ncc3ccc(N)cc32)nc[nH]c1=O
InChIInChI=1S/C12H11N5O2/c1-19-10-11(14-6-15-12(10)18)17-9-4-8(13)3-2-7(9)5-16-17/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyFJFPSQGSTPRPRR-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.70
Rot. Bonds2

About 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979897) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979897
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(-n2ncc3ccc(N)cc32)nc[nH]c1=O
InChIInChI=1S/C12H11N5O2/c1-19-10-11(14-6-15-12(10)18)17-9-4-8(13)3-2-7(9)5-16-17/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyFJFPSQGSTPRPRR-UHFFFAOYSA-N
XLogP0.70
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979897) is 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(-n2ncc3ccc(N)cc32)nc[nH]c1=O.
What is the InChIKey of 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is FJFPSQGSTPRPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-10-11(14-6-15-12(10)18)17-9-4-8(13)3-2-7(9)5-16-17/h2-6H,13H2,1H3,(H,14,15,18).
What are the key properties of 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 257.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminoindazol-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).