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

C8H9N5O2 — CID 58227806

IUPACN,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)c1n[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C8H9N5O2/c1-12(2)8-6-3-5(13(14)15)4-9-7(6)10-11-8/h3-4H,1-2H3,(H,9,10,11)
InChIKeySGWHXXMYXOTQTP-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.93
Rot. Bonds2

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

N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 58227806) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID58227806
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC NameN,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCN(C)c1n[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C8H9N5O2/c1-12(2)8-6-3-5(13(14)15)4-9-7(6)10-11-8/h3-4H,1-2H3,(H,9,10,11)
InChIKeySGWHXXMYXOTQTP-UHFFFAOYSA-N
XLogP0.93
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
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

N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 67088839
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 86207952
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
5-nitro-3-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-b]pyridine
CID 67089093
5-methyl-3-nitroquinoline
CID 119082281
N'-methyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62688298
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
tert-butyl-(3-methyl-5-nitro-2-pyridinyl)carbamic acid
CID 66927025
3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
CID 44550526
2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 162474156

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 58227806) is N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine is CN(C)c1n[nH]c2ncc([N+](=O)[O-])cc12.
What is the InChIKey of N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is SGWHXXMYXOTQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-12(2)8-6-3-5(13(14)15)4-9-7(6)10-11-8/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 207.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 58227806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).