N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H8N6O2 — CID 91407901

IUPACN-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8N6O2/c18-17(19)8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6H,(H2,12,13,14,15,16)
InChIKeyRNVFDSUZGWCHKE-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.00
Rot. Bonds3

About N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 91407901) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID91407901
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC NameN-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8N6O2/c18-17(19)8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6H,(H2,12,13,14,15,16)
InChIKeyRNVFDSUZGWCHKE-UHFFFAOYSA-N
XLogP2.00
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide
CID 133277106
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
4-(4-nitroanilino)-2H-phthalazin-1-one
CID 162514674
N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91211026
5-N,6-N-bis(4-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3123790
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
4-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76849006
4-N-(8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 146674109

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 91407901) is N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is O=[N+]([O-])c1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RNVFDSUZGWCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c18-17(19)8-3-1-7(2-4-8)15-10-9-5-14-16-11(9)13-6-12-10/h1-6H,(H2,12,13,14,15,16).
What are the key properties of N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 256.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 91407901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).