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

C10H13N5O2 — CID 67088839

IUPACN,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCCN(CC)c1n[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C10H13N5O2/c1-3-14(4-2)10-8-5-7(15(16)17)6-11-9(8)12-13-10/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyYKLYQRAYJYJSDU-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.71
Rot. Bonds4

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

N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 67088839) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID67088839
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCCN(CC)c1n[nH]c2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C10H13N5O2/c1-3-14(4-2)10-8-5-7(15(16)17)6-11-9(8)12-13-10/h5-6H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyYKLYQRAYJYJSDU-UHFFFAOYSA-N
XLogP1.71
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 67088839) is N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine is CCN(CC)c1n[nH]c2ncc([N+](=O)[O-])cc12.
What is the InChIKey of N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is YKLYQRAYJYJSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-14(4-2)10-8-5-7(15(16)17)6-11-9(8)12-13-10/h5-6H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine?
N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 235.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 67088839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).