5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one

C11H10N6O — CID 3072246

IUPAC5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2ccccc2)nc2[nH]ncc2c1=O
InChIInChI=1S/C11H10N6O/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyHHOUQNWNZAJPJE-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.58
Rot. Bonds2

About 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3072246) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3072246
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2ccccc2)nc2[nH]ncc2c1=O
InChIInChI=1S/C11H10N6O/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyHHOUQNWNZAJPJE-UHFFFAOYSA-N
XLogP0.58
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 155899158
5-Amino-N-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxamide
CID 1263586
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
5-Amino-6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 940122
5-Amino-1-phenyl-6-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1855852
5-amino-1-phenyl-N'-(phenylmethylene)-1H-pyrazole-4-carbohydrazide
CID 9583770
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-phenylacetamide
CID 135831523
5-Amino-6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 709807

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 3072246) is 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one is Nn1c(Nc2ccccc2)nc2[nH]ncc2c1=O.
What is the InChIKey of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HHOUQNWNZAJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16).
What are the key properties of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3072246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).