5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine

C6H5N5O2 — CID 164669430

IUPAC5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2[nH]ncc12
InChIInChI=1S/C6H5N5O2/c7-5-3-1-9-10-6(3)8-2-4(5)11(12)13/h1-2H,(H3,7,8,9,10)
InChIKeyDTNKBOKTEKRWFK-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.45
Rot. Bonds1

About 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine

5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 164669430) has the molecular formula C6H5N5O2 and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine
PubChem CID164669430
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine
SMILESNc1c([N+](=O)[O-])cnc2[nH]ncc12
InChIInChI=1S/C6H5N5O2/c7-5-3-1-9-10-6(3)8-2-4(5)11(12)13/h1-2H,(H3,7,8,9,10)
InChIKeyDTNKBOKTEKRWFK-UHFFFAOYSA-N
XLogP0.45
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-nitro-1H-indazol-5-amine
CID 74892019
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
5-chloro-4-nitro-1H-pyrazole
CID 18769507
3-nitro-6-(trifluoromethyl)quinolin-4-amine
CID 126712327
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
4-nitro-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaene
CID 59490567
N-(4-nitro-1H-pyrazol-5-yl)formamide
CID 174455927
4-nitro-1H-indazole-6-carboxamide
CID 171066795
2,4-dinitropyridin-3-amine
CID 19034991
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
4-[(7-nitro-1H-indazol-4-yl)oxy]pyridin-2-amine
CID 67450786
4-nitro-1H-indazole-6-carboxylic acid
CID 24728271

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine (CID 164669430) is 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine is Nc1c([N+](=O)[O-])cnc2[nH]ncc12.
What is the InChIKey of 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is DTNKBOKTEKRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-5-3-1-9-10-6(3)8-2-4(5)11(12)13/h1-2H,(H3,7,8,9,10).
What are the key properties of 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine?
5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 179.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 164669430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).