5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one

C11H10N6O2 — CID 171355895

IUPAC5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Nc2n[nH]c3nn[nH]c(=O)c23)c1
InChIInChI=1S/C11H10N6O2/c1-19-7-4-2-3-6(5-7)12-9-8-10(14-13-9)15-17-16-11(8)18/h2-5H,1H3,(H3,12,13,14,15,16,18)
InChIKeyPASXSVPKBOHRFX-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.79
Rot. Bonds3

About 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one

5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one (PubChem CID 171355895) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one
PubChem CID171355895
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESCOc1cccc(Nc2n[nH]c3nn[nH]c(=O)c23)c1
InChIInChI=1S/C11H10N6O2/c1-19-7-4-2-3-6(5-7)12-9-8-10(14-13-9)15-17-16-11(8)18/h2-5H,1H3,(H3,12,13,14,15,16,18)
InChIKeyPASXSVPKBOHRFX-UHFFFAOYSA-N
XLogP0.79
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one (CID 171355895) is 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one is COc1cccc(Nc2n[nH]c3nn[nH]c(=O)c23)c1.
What is the InChIKey of 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The InChIKey is PASXSVPKBOHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-19-7-4-2-3-6(5-7)12-9-8-10(14-13-9)15-17-16-11(8)18/h2-5H,1H3,(H3,12,13,14,15,16,18).
What are the key properties of 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one has a molecular weight of 258.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-3,7-dihydropyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 171355895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).