5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one

C10H8N6O — CID 171350945

IUPAC5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2[nH]nc(Nc3ccccc3)c12
InChIInChI=1S/C10H8N6O/c17-10-7-8(11-6-4-2-1-3-5-6)12-13-9(7)14-16-15-10/h1-5H,(H3,11,12,13,14,15,17)
InChIKeySAOHRLKJERKJQY-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.78
Rot. Bonds2

About 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one

5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one (PubChem CID 171350945) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
PubChem CID171350945
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2[nH]nc(Nc3ccccc3)c12
InChIInChI=1S/C10H8N6O/c17-10-7-8(11-6-4-2-1-3-5-6)12-13-9(7)14-16-15-10/h1-5H,(H3,11,12,13,14,15,17)
InChIKeySAOHRLKJERKJQY-UHFFFAOYSA-N
XLogP0.78
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-(phenylamino)-1H-pyrazole-4-carbonitrile
CID 4164367
3,5-Dianilinopyrazole
CID 2322334
methyl 5-amino-3-anilino-1H-pyrazole-4-carboxylate
CID 10376624
4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-phenyl-
CID 3072256
5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948874
5-amino-N-phenyl-1H-pyrazole-4-carboxamide
CID 671570
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-(phenylamino)-
CID 3072246
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-
CID 3072247
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-fluorophenyl)amino)-
CID 3072252
4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((3-fluorophenyl)amino)-
CID 3072253
5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 25146791
3-anilino-5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 25146794

Frequently Asked Questions

What is the IUPAC name of 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one (CID 171350945) is 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one is O=c1[nH]nnc2[nH]nc(Nc3ccccc3)c12.
What is the InChIKey of 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
The InChIKey is SAOHRLKJERKJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c17-10-7-8(11-6-4-2-1-3-5-6)12-13-9(7)14-16-15-10/h1-5H,(H3,11,12,13,14,15,17).
What are the key properties of 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one?
5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one has a molecular weight of 228.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 171350945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).